1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide

C24H26ClF3N4O2 — CID 55895494

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C24H26ClF3N4O2/c25-20-13-17(24(26,27)28)14-29-21(20)32-11-9-16(10-12-32)23(34)31-19-7-5-15(6-8-19)22(33)30-18-3-1-2-4-18/h5-8,13-14,16,18H,1-4,9-12H2,(H,30,33)(H,31,34)
InChIKeyKFLCIQXDNNCHFV-UHFFFAOYSA-N
MW494.95 g/mol
LogP5.28
Rot. Bonds5

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 55895494) has the molecular formula C24H26ClF3N4O2 and a molecular weight of 494.95 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID55895494
Molecular FormulaC24H26ClF3N4O2
Molecular Weight494.95 g/mol
Exact Mass494.17
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1
InChIInChI=1S/C24H26ClF3N4O2/c25-20-13-17(24(26,27)28)14-29-21(20)32-11-9-16(10-12-32)23(34)31-19-7-5-15(6-8-19)22(33)30-18-3-1-2-4-18/h5-8,13-14,16,18H,1-4,9-12H2,(H,30,33)(H,31,34)
InChIKeyKFLCIQXDNNCHFV-UHFFFAOYSA-N
XLogP5.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 55783271
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
CID 60521716
N-(3-chloro-2-fluorophenyl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26309310
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
CID 119453373
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 55340902
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 55958868
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 24525425
N-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55534638
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 55895494) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide is O=C(NC1CCCC1)c1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KFLCIQXDNNCHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O2/c25-20-13-17(24(26,27)28)14-29-21(20)32-11-9-16(10-12-32)23(34)31-19-7-5-15(6-8-19)22(33)30-18-3-1-2-4-18/h5-8,13-14,16,18H,1-4,9-12H2,(H,30,33)(H,31,34).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[4-(cyclopentylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55895494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).