(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide

C20H23ClN2O2 — CID 92851241

IUPAC(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyLFGMAQSGUKMIMQ-INIZCTEOSA-N
MW358.87 g/mol
LogP4.20
Rot. Bonds5

About (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 92851241) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
PubChem CID92851241
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyLFGMAQSGUKMIMQ-INIZCTEOSA-N
XLogP4.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-[(4-bromophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920252
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43919883
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818397
(3S)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 124818396
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43920255
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43924979
1-[(4-chlorophenyl)methyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43923926
1-[(4-chlorophenyl)methyl]-N-(2,3-dichlorophenyl)piperidine-3-carboxamide
CID 133159221
(3S)-1-[(4-chlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100777606
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide (CID 92851241) is (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide is COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is LFGMAQSGUKMIMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-25-19-7-3-2-6-18(19)22-20(24)16-5-4-12-23(14-16)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 92851241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).