(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide

C20H20ClFN2O2 — CID 93069842

IUPAC(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20ClFN2O2/c1-13-8-9-15(21)11-18(13)23-19(25)14-5-4-10-24(12-14)20(26)16-6-2-3-7-17(16)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUGGZYJRBQHSUPD-AWEZNQCLSA-N
MW374.84 g/mol
LogP4.28
Rot. Bonds3

About (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide

(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 93069842) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID93069842
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C20H20ClFN2O2/c1-13-8-9-15(21)11-18(13)23-19(25)14-5-4-10-24(12-14)20(26)16-6-2-3-7-17(16)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25)/t14-/m0/s1
InChIKeyUGGZYJRBQHSUPD-AWEZNQCLSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605
N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044702
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43921598
N-(5-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921606
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide (CID 93069842) is (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is UGGZYJRBQHSUPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c1-13-8-9-15(21)11-18(13)23-19(25)14-5-4-10-24(12-14)20(26)16-6-2-3-7-17(16)22/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,23,25)/t14-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide?
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 93069842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).