1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea

C91H107F11N14O4 — CID 159286113

IUPAC1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCC(F)(F)CCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cncc(C(F)(F)F)c2)CC1.Cn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H28F5N3O.C23H29F3N4O.C23H27N5O.C21H23F3N2O/c1-23(25,26)12-15-31-13-10-21(11-14-31)32(17-18-6-3-2-4-7-18)22(33)30-20-9-5-8-19(16-20)24(27,28)29;1-2-3-11-29-12-9-21(10-13-29)30(17-18-7-5-4-6-8-18)22(31)28-20-14-19(15-27-16-20)23(24,25)26;1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18;22-21(23,24)17-10-7-11-18(14-17)25-20(27)26(19-12-5-2-6-13-19)15-16-8-3-1-4-9-16/h2-9,16,21H,10-15,17H2,1H3,(H,30,33);4-8,14-16,21H,2-3,9-13,17H2,1H3,(H,28,31);2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29);1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,25,27)
InChIKeyKZNJXTVNPQVUEE-UHFFFAOYSA-N
MW1669.93 g/mol
LogP21.59
Rot. Bonds23

About 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea

1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea (PubChem CID 159286113) has the molecular formula C91H107F11N14O4 and a molecular weight of 1669.93 g/mol. Its IUPAC name is 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
PubChem CID159286113
Molecular FormulaC91H107F11N14O4
Molecular Weight1669.93 g/mol
Exact Mass1668.84
IUPAC Name1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCC(F)(F)CCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cncc(C(F)(F)F)c2)CC1.Cn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C24H28F5N3O.C23H29F3N4O.C23H27N5O.C21H23F3N2O/c1-23(25,26)12-15-31-13-10-21(11-14-31)32(17-18-6-3-2-4-7-18)22(33)30-20-9-5-8-19(16-20)24(27,28)29;1-2-3-11-29-12-9-21(10-13-29)30(17-18-7-5-4-6-8-18)22(31)28-20-14-19(15-27-16-20)23(24,25)26;1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18;22-21(23,24)17-10-7-11-18(14-17)25-20(27)26(19-12-5-2-6-13-19)15-16-8-3-1-4-9-16/h2-9,16,21H,10-15,17H2,1H3,(H,30,33);4-8,14-16,21H,2-3,9-13,17H2,1H3,(H,28,31);2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29);1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,25,27)
InChIKeyKZNJXTVNPQVUEE-UHFFFAOYSA-N
XLogP21.59
TPSA178.58 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001669.93
LogP ≤ 521.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea (CID 159286113) is 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea is CC(F)(F)CCN1CCC(N(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)CC1.CCCCN1CCC(N(Cc2ccccc2)C(=O)Nc2cncc(C(F)(F)F)c2)CC1.Cn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is KZNJXTVNPQVUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F5N3O.C23H29F3N4O.C23H27N5O.C21H23F3N2O/c1-23(25,26)12-15-31-13-10-21(11-14-31)32(17-18-6-3-2-4-7-18)22(33)30-20-9-5-8-19(16-20)24(27,28)29;1-2-3-11-29-12-9-21(10-13-29)30(17-18-7-5-4-6-8-18)22(31)28-20-14-19(15-27-16-20)23(24,25)26;1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18;22-21(23,24)17-10-7-11-18(14-17)25-20(27)26(19-12-5-2-6-13-19)15-16-8-3-1-4-9-16/h2-9,16,21H,10-15,17H2,1H3,(H,30,33);4-8,14-16,21H,2-3,9-13,17H2,1H3,(H,28,31);2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29);1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,25,27).
What are the key properties of 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 1669.93 g/mol, XLogP of 21.59, 23 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(1-butylpiperidin-4-yl)-3-[5-(trifluoromethyl)-3-pyridinyl]urea;1-benzyl-1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]urea;1-benzyl-1-[1-(3,3-difluorobutyl)piperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 159286113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).