3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide

C95H99ClF9N7O4 — CID 161420630

IUPAC3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
SMILESCC(CC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(Cl)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C32H33F5N2O2.C32H33F2N3O.C31H33ClF2N2O/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-22(31(38)36-28-11-12-29(33)30(34)18-28)19-32(13-15-37(16-14-32)21-23-5-6-23)27-9-7-25(8-10-27)26-4-2-3-24(17-26)20-35;1-21(30(37)35-27-11-12-28(33)29(34)18-27)19-31(13-15-36(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-26(32)17-24/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,22-23H,5-6,13-16,19,21H2,1H3,(H,36,38);2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,35,37)
InChIKeyVWRKBAJWYWKISS-UHFFFAOYSA-N
MW1609.32 g/mol
LogP22.54
Rot. Bonds25

About 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide

3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide (PubChem CID 161420630) has the molecular formula C95H99ClF9N7O4 and a molecular weight of 1609.32 g/mol. Its IUPAC name is 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
PubChem CID161420630
Molecular FormulaC95H99ClF9N7O4
Molecular Weight1609.32 g/mol
Exact Mass1607.73
IUPAC Name3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
SMILESCC(CC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(Cl)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C32H33F5N2O2.C32H33F2N3O.C31H33ClF2N2O/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-22(31(38)36-28-11-12-29(33)30(34)18-28)19-32(13-15-37(16-14-32)21-23-5-6-23)27-9-7-25(8-10-27)26-4-2-3-24(17-26)20-35;1-21(30(37)35-27-11-12-28(33)29(34)18-27)19-31(13-15-36(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-26(32)17-24/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,22-23H,5-6,13-16,19,21H2,1H3,(H,36,38);2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,35,37)
InChIKeyVWRKBAJWYWKISS-UHFFFAOYSA-N
XLogP22.54
TPSA130.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001609.32
LogP ≤ 522.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide with MolForge

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Related Compounds

(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;N-(2,3-difluorophenyl)-2-oxo-4-phenylpiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 158197634
(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 159330928
2-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]oxy-N-(3,4-difluorophenyl)propanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide
CID 162133765
(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-1-methyl-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-4-(3-methoxyphenyl)-2-oxopiperidine-3-carboxamide;4-(3-methoxyphenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 163428787
(3R,4S)-4-(3-chlorophenyl)-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2,3-difluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-N-(2-fluorophenyl)-2-oxopiperidine-3-carboxamide;4-[3-(difluoromethyl)phenyl]-2-oxo-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide;(3S)-N-(2,3-difluorophenyl)-4-(4-fluorophenyl)-1-methyl-2-oxopiperidine-3-carboxamide;N-(2-fluorophenyl)-1-methyl-2-oxo-4-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 165019915
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine
CID 158798156

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The IUPAC name of 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide (CID 161420630) is 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The canonical SMILES for 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide is CC(CC1(c2ccc(-c3cccc(C#N)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(Cl)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.CC(CC1(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CCN(CC2CC2)CC1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
The InChIKey is VWRKBAJWYWKISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F5N2O2.C32H33F2N3O.C31H33ClF2N2O/c1-21(30(40)38-26-11-12-28(33)29(34)18-26)19-31(13-15-39(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-27(17-24)41-32(35,36)37;1-22(31(38)36-28-11-12-29(33)30(34)18-28)19-32(13-15-37(16-14-32)21-23-5-6-23)27-9-7-25(8-10-27)26-4-2-3-24(17-26)20-35;1-21(30(37)35-27-11-12-28(33)29(34)18-27)19-31(13-15-36(16-14-31)20-22-5-6-22)25-9-7-23(8-10-25)24-3-2-4-26(32)17-24/h2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,38,40);2-4,7-12,17-18,22-23H,5-6,13-16,19,21H2,1H3,(H,36,38);2-4,7-12,17-18,21-22H,5-6,13-16,19-20H2,1H3,(H,35,37).
What are the key properties of 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide?
3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide has a molecular weight of 1609.32 g/mol, XLogP of 22.54, 25 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-chlorophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[4-[4-(3-cyanophenyl)phenyl]-1-(cyclopropylmethyl)piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide;3-[1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethoxy)phenyl]phenyl]piperidin-4-yl]-N-(3,4-difluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 161420630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).