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

C27H32ClF3N2O — CID 134154327

IUPAC1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C27H32ClF3N2O/c28-23-10-8-21(9-11-23)26(14-4-5-15-26)25(34)32-19-24(18-20-6-2-1-3-7-20)33-16-12-22(13-17-33)27(29,30)31/h1-3,6-11,22,24H,4-5,12-19H2,(H,32,34)
InChIKeyNSULWEQZEHFMNX-UHFFFAOYSA-N
MW493.01 g/mol
LogP6.15
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (PubChem CID 134154327) has the molecular formula C27H32ClF3N2O and a molecular weight of 493.01 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
PubChem CID134154327
Molecular FormulaC27H32ClF3N2O
Molecular Weight493.01 g/mol
Exact Mass492.22
IUPAC Name1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide
SMILESO=C(NCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C27H32ClF3N2O/c28-23-10-8-21(9-11-23)26(14-4-5-15-26)25(34)32-19-24(18-20-6-2-1-3-7-20)33-16-12-22(13-17-33)27(29,30)31/h1-3,6-11,22,24H,4-5,12-19H2,(H,32,34)
InChIKeyNSULWEQZEHFMNX-UHFFFAOYSA-N
XLogP6.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.01
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide (CID 134154327) is 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is O=C(NCC(Cc1ccccc1)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
The InChIKey is NSULWEQZEHFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClF3N2O/c28-23-10-8-21(9-11-23)26(14-4-5-15-26)25(34)32-19-24(18-20-6-2-1-3-7-20)33-16-12-22(13-17-33)27(29,30)31/h1-3,6-11,22,24H,4-5,12-19H2,(H,32,34).
What are the key properties of 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide has a molecular weight of 493.01 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-phenyl-2-[4-(trifluoromethyl)piperidin-1-yl]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 134154327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).