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

C27H31ClF4N2O2 — CID 121304825

IUPAC1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NC[C@@H](Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C27H31ClF4N2O2/c28-21-7-5-20(6-8-21)25(11-1-2-12-25)24(35)33-18-23(17-19-3-9-22(29)10-4-19)34-15-13-26(36,14-16-34)27(30,31)32/h3-10,23,36H,1-2,11-18H2,(H,33,35)/t23-/m1/s1
InChIKeyOVXHVRCUBXVAEI-HSZRJFAPSA-N
MW527.00 g/mol
LogP5.41
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (PubChem CID 121304825) has the molecular formula C27H31ClF4N2O2 and a molecular weight of 527.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
PubChem CID121304825
Molecular FormulaC27H31ClF4N2O2
Molecular Weight527.00 g/mol
Exact Mass526.20
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NC[C@@H](Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C27H31ClF4N2O2/c28-21-7-5-20(6-8-21)25(11-1-2-12-25)24(35)33-18-23(17-19-3-9-22(29)10-4-19)34-15-13-26(36,14-16-34)27(30,31)32/h3-10,23,36H,1-2,11-18H2,(H,33,35)/t23-/m1/s1
InChIKeyOVXHVRCUBXVAEI-HSZRJFAPSA-N
XLogP5.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.00
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (CID 121304825) is 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is O=C(NC[C@@H](Cc1ccc(F)cc1)N1CCC(O)(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The InChIKey is OVXHVRCUBXVAEI-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H31ClF4N2O2/c28-21-7-5-20(6-8-21)25(11-1-2-12-25)24(35)33-18-23(17-19-3-9-22(29)10-4-19)34-15-13-26(36,14-16-34)27(30,31)32/h3-10,23,36H,1-2,11-18H2,(H,33,35)/t23-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide has a molecular weight of 527.00 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-3-(4-fluorophenyl)-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 121304825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).