1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine

C154H182F18N36O12S6 — CID 160647883

IUPAC1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(CCN)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(N)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC4N)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CCC4CCNCC4)CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C28H35F3N6O2S.C27H33F3N6O2S.C26H31F3N6O2S.2C25H29F3N6O2S.C23H25F3N6O2S/c1-40(38,39)26-24(28(29,30)31)11-10-23(25(26)27-33-35-36-34-27)21-6-4-19(5-7-21)20-13-16-37(17-14-20)22-8-2-18(3-9-22)12-15-32;1-39(37,38)25-23(27(28,29)30)7-6-22(24(25)26-32-34-35-33-26)21-4-2-19(3-5-21)20-11-16-36(17-12-20)15-10-18-8-13-31-14-9-18;1-38(36,37)24-22(26(27,28)29)11-10-21(23(24)25-31-33-34-32-25)18-4-2-16(3-5-18)17-12-14-35(15-13-17)20-8-6-19(30)7-9-20;1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)19-4-2-17(3-5-19)18-9-12-34(13-10-18)15-16-8-11-29-14-16;1-37(35,36)23-19(25(26,27)28)10-9-18(22(23)24-30-32-33-31-24)17-7-5-15(6-8-17)16-11-13-34(14-12-16)21-4-2-3-20(21)29;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)15-8-10-32(11-9-15)17-12-27-13-17/h4-7,10-11,18,20,22H,2-3,8-9,12-17,32H2,1H3,(H,33,34,35,36);2-7,18,20,31H,8-17H2,1H3,(H,32,33,34,35);2-5,10-11,17,19-20H,6-9,12-15,30H2,1H3,(H,31,32,33,34);2-7,16,18,29H,8-15H2,1H3,(H,30,31,32,33);5-10,16,20-21H,2-4,11-14,29H2,1H3,(H,30,31,32,33);2-7,15,17,27H,8-13H2,1H3,(H,28,29,30,31)
InChIKeyRKAJOKVTDMPGFJ-UHFFFAOYSA-N
MW3263.76 g/mol
LogP24.84
Rot. Bonds35

About 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine

1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine (PubChem CID 160647883) has the molecular formula C154H182F18N36O12S6 and a molecular weight of 3263.76 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
PubChem CID160647883
Molecular FormulaC154H182F18N36O12S6
Molecular Weight3263.76 g/mol
Exact Mass3261.28
IUPAC Name1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine
SMILESCS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(CCN)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(N)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC4N)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CCC4CCNCC4)CC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C28H35F3N6O2S.C27H33F3N6O2S.C26H31F3N6O2S.2C25H29F3N6O2S.C23H25F3N6O2S/c1-40(38,39)26-24(28(29,30)31)11-10-23(25(26)27-33-35-36-34-27)21-6-4-19(5-7-21)20-13-16-37(17-14-20)22-8-2-18(3-9-22)12-15-32;1-39(37,38)25-23(27(28,29)30)7-6-22(24(25)26-32-34-35-33-26)21-4-2-19(3-5-21)20-11-16-36(17-12-20)15-10-18-8-13-31-14-9-18;1-38(36,37)24-22(26(27,28)29)11-10-21(23(24)25-31-33-34-32-25)18-4-2-16(3-5-18)17-12-14-35(15-13-17)20-8-6-19(30)7-9-20;1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)19-4-2-17(3-5-19)18-9-12-34(13-10-18)15-16-8-11-29-14-16;1-37(35,36)23-19(25(26,27)28)10-9-18(22(23)24-30-32-33-31-24)17-7-5-15(6-8-17)16-11-13-34(14-12-16)21-4-2-3-20(21)29;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)15-8-10-32(11-9-15)17-12-27-13-17/h4-7,10-11,18,20,22H,2-3,8-9,12-17,32H2,1H3,(H,33,34,35,36);2-7,18,20,31H,8-17H2,1H3,(H,32,33,34,35);2-5,10-11,17,19-20H,6-9,12-15,30H2,1H3,(H,31,32,33,34);2-7,16,18,29H,8-15H2,1H3,(H,30,31,32,33);5-10,16,20-21H,2-4,11-14,29H2,1H3,(H,30,31,32,33);2-7,15,17,27H,8-13H2,1H3,(H,28,29,30,31)
InChIKeyRKAJOKVTDMPGFJ-UHFFFAOYSA-N
XLogP24.84
TPSA665.19 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds35
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003263.76
LogP ≤ 524.84
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The IUPAC name of 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine (CID 160647883) is 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine is CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(CCN)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCC(N)CC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CCCC4N)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(C4CNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCNC4)CC3)cc2)c1-c1nn[nH]n1.CS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CCC4CCNCC4)CC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
The InChIKey is RKAJOKVTDMPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F3N6O2S.C27H33F3N6O2S.C26H31F3N6O2S.2C25H29F3N6O2S.C23H25F3N6O2S/c1-40(38,39)26-24(28(29,30)31)11-10-23(25(26)27-33-35-36-34-27)21-6-4-19(5-7-21)20-13-16-37(17-14-20)22-8-2-18(3-9-22)12-15-32;1-39(37,38)25-23(27(28,29)30)7-6-22(24(25)26-32-34-35-33-26)21-4-2-19(3-5-21)20-11-16-36(17-12-20)15-10-18-8-13-31-14-9-18;1-38(36,37)24-22(26(27,28)29)11-10-21(23(24)25-31-33-34-32-25)18-4-2-16(3-5-18)17-12-14-35(15-13-17)20-8-6-19(30)7-9-20;1-37(35,36)23-21(25(26,27)28)7-6-20(22(23)24-30-32-33-31-24)19-4-2-17(3-5-19)18-9-12-34(13-10-18)15-16-8-11-29-14-16;1-37(35,36)23-19(25(26,27)28)10-9-18(22(23)24-30-32-33-31-24)17-7-5-15(6-8-17)16-11-13-34(14-12-16)21-4-2-3-20(21)29;1-35(33,34)21-19(23(24,25)26)7-6-18(20(21)22-28-30-31-29-22)16-4-2-14(3-5-16)15-8-10-32(11-9-15)17-12-27-13-17/h4-7,10-11,18,20,22H,2-3,8-9,12-17,32H2,1H3,(H,33,34,35,36);2-7,18,20,31H,8-17H2,1H3,(H,32,33,34,35);2-5,10-11,17,19-20H,6-9,12-15,30H2,1H3,(H,31,32,33,34);2-7,16,18,29H,8-15H2,1H3,(H,30,31,32,33);5-10,16,20-21H,2-4,11-14,29H2,1H3,(H,30,31,32,33);2-7,15,17,27H,8-13H2,1H3,(H,28,29,30,31).
What are the key properties of 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine?
1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine has a molecular weight of 3263.76 g/mol, XLogP of 24.84, 35 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidine;4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexan-1-amine;2-[4-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclohexyl]ethanamine;2-[4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]piperidin-1-yl]cyclopentan-1-amine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(2-piperidin-4-ylethyl)piperidine;4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]phenyl]-1-(pyrrolidin-3-ylmethyl)piperidine is sourced from PubChem (CID 160647883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).