1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C64H66F8N10O6 — CID 123620373

IUPAC1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(Cc3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C35H35F4N5O3.C29H31F4N5O3/c36-28-9-5-4-8-27(28)22-31(46)43-18-16-42(17-19-43)30-11-10-26(23-40-30)21-29(45)32-33(35(37,38)39)41-34(47-32)44-14-12-25(13-15-44)20-24-6-2-1-3-7-24;1-19-8-10-38(11-9-19)28-35-27(29(31,32)33)26(41-28)23(39)16-20-6-7-24(34-18-20)36-12-14-37(15-13-36)25(40)17-21-4-2-3-5-22(21)30/h1-11,23,25H,12-22H2;2-7,18-19H,8-17H2,1H3
InChIKeyTXELKKZCJTYBGW-UHFFFAOYSA-N
MW1223.28 g/mol
LogP10.78
Rot. Bonds16

About 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 123620373) has the molecular formula C64H66F8N10O6 and a molecular weight of 1223.28 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID123620373
Molecular FormulaC64H66F8N10O6
Molecular Weight1223.28 g/mol
Exact Mass1222.50
IUPAC Name1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCC1CCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(Cc3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C35H35F4N5O3.C29H31F4N5O3/c36-28-9-5-4-8-27(28)22-31(46)43-18-16-42(17-19-43)30-11-10-26(23-40-30)21-29(45)32-33(35(37,38)39)41-34(47-32)44-14-12-25(13-15-44)20-24-6-2-1-3-7-24;1-19-8-10-38(11-9-19)28-35-27(29(31,32)33)26(41-28)23(39)16-20-6-7-24(34-18-20)36-12-14-37(15-13-36)25(40)17-21-4-2-3-5-22(21)30/h1-11,23,25H,12-22H2;2-7,18-19H,8-17H2,1H3
InChIKeyTXELKKZCJTYBGW-UHFFFAOYSA-N
XLogP10.78
TPSA165.56 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.28
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone with MolForge

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Related Compounds

N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
N-[6-[4-[2-(2,6-difluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207907
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[3-(3-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211943
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[3-(3-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46211949
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[3-(4-methylphenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212163
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[(3R)-3-phenylpiperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212164
N-[6-[(2R)-4-[(2-fluorophenyl)carbamoyl]-2-methylpiperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212526
N-[6-[(3R)-4-[(2-fluorophenyl)carbamoyl]-3-methylpiperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212530
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212573
N-[6-[4-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212575
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212711
N-[6-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]pyridin-3-yl]-2-[4-(4-fluorophenyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46212714

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 123620373) is 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is CC1CCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(N4CCN(C(=O)Cc5ccccc5F)CC4)nc3)o2)CC1.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(Cc3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is TXELKKZCJTYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F4N5O3.C29H31F4N5O3/c36-28-9-5-4-8-27(28)22-31(46)43-18-16-42(17-19-43)30-11-10-26(23-40-30)21-29(45)32-33(35(37,38)39)41-34(47-32)44-14-12-25(13-15-44)20-24-6-2-1-3-7-24;1-19-8-10-38(11-9-19)28-35-27(29(31,32)33)26(41-28)23(39)16-20-6-7-24(34-18-20)36-12-14-37(15-13-36)25(40)17-21-4-2-3-5-22(21)30/h1-11,23,25H,12-22H2;2-7,18-19H,8-17H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 1223.28 g/mol, XLogP of 10.78, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 123620373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).