(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide

C20H23N3O2 — CID 120620603

IUPAC(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCN1
InChIInChI=1S/C20H23N3O2/c1-14-12-16(10-11-21-14)20(25)23-18-9-5-8-17(13-18)22-19(24)15-6-3-2-4-7-15/h2-9,13-14,16,21H,10-12H2,1H3,(H,22,24)(H,23,25)/t14-,16-/m0/s1
InChIKeyCGFBJFPESBONNP-HOCLYGCPSA-N
MW337.42 g/mol
LogP3.27
Rot. Bonds4

About (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120620603) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
PubChem CID120620603
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCN1
InChIInChI=1S/C20H23N3O2/c1-14-12-16(10-11-21-14)20(25)23-18-9-5-8-17(13-18)22-19(24)15-6-3-2-4-7-15/h2-9,13-14,16,21H,10-12H2,1H3,(H,22,24)(H,23,25)/t14-,16-/m0/s1
InChIKeyCGFBJFPESBONNP-HOCLYGCPSA-N
XLogP3.27
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-[1-(3-benzamidophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620755
(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 120624438
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617088
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide (CID 120620603) is (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCN1.
What is the InChIKey of (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is CGFBJFPESBONNP-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-12-16(10-11-21-14)20(25)23-18-9-5-8-17(13-18)22-19(24)15-6-3-2-4-7-15/h2-9,13-14,16,21H,10-12H2,1H3,(H,22,24)(H,23,25)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120620603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).