1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide

C28H31ClF3N3O2 — CID 121304866

IUPAC1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESN#Cc1ccc(CC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)N2CCC(O)(C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H31ClF3N3O2/c29-23-9-7-22(8-10-23)26(11-1-2-12-26)25(36)34-19-24(17-20-3-5-21(18-33)6-4-20)35-15-13-27(37,14-16-35)28(30,31)32/h3-10,24,37H,1-2,11-17,19H2,(H,34,36)
InChIKeyDRMGHQKJRKRAAE-UHFFFAOYSA-N
MW534.02 g/mol
LogP5.14
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (PubChem CID 121304866) has the molecular formula C28H31ClF3N3O2 and a molecular weight of 534.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
PubChem CID121304866
Molecular FormulaC28H31ClF3N3O2
Molecular Weight534.02 g/mol
Exact Mass533.21
IUPAC Name1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESN#Cc1ccc(CC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)N2CCC(O)(C(F)(F)F)CC2)cc1
InChIInChI=1S/C28H31ClF3N3O2/c29-23-9-7-22(8-10-23)26(11-1-2-12-26)25(36)34-19-24(17-20-3-5-21(18-33)6-4-20)35-15-13-27(37,14-16-35)28(30,31)32/h3-10,24,37H,1-2,11-17,19H2,(H,34,36)
InChIKeyDRMGHQKJRKRAAE-UHFFFAOYSA-N
XLogP5.14
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.02
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(2-(4-hydroxy-4-(trifluoromethyl)piperidin-1-yl)-3-phenylpropyl)cyclopentane-1-carboxamide
CID 121304823
1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
CID 121304861
N-[3-(4-bromophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]-1-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 121313637
1-(4-chlorophenyl)-N-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
CID 121304827
N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 56683608
1-(4-chlorophenyl)-N-[3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 134134923
1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
CID 134154327
1-(4-chlorophenyl)-N-[(2S)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
CID 145964896
1-(4-chlorophenyl)-N-[(2R)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopropane-1-carboxamide
CID 145965582
1-(4-chlorophenyl)-N-[(2S)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
CID 121304824
1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
CID 121304825
1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methylbutyl]cyclopentane-1-carboxamide
CID 145963912

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (CID 121304866) is 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is N#Cc1ccc(CC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)N2CCC(O)(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The InChIKey is DRMGHQKJRKRAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF3N3O2/c29-23-9-7-22(8-10-23)26(11-1-2-12-26)25(36)34-19-24(17-20-3-5-21(18-33)6-4-20)35-15-13-27(37,14-16-35)28(30,31)32/h3-10,24,37H,1-2,11-17,19H2,(H,34,36).
What are the key properties of 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide has a molecular weight of 534.02 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-(4-cyanophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 121304866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).