(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C21H26ClN3O3 — CID 120617172

IUPAC(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-14-12-15(10-11-22-14)20(25)24-19-9-4-3-8-18(19)21(26)23-16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,26)(H,24,25);1H/t14-,15-;/m0./s1
InChIKeyLBXPREMVBGHMEG-YYLIZZNMSA-N
MW403.91 g/mol
LogP3.70
Rot. Bonds5

About (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120617172) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120617172
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C21H25N3O3.ClH/c1-14-12-15(10-11-22-14)20(25)24-19-9-4-3-8-18(19)21(26)23-16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,26)(H,24,25);1H/t14-,15-;/m0./s1
InChIKeyLBXPREMVBGHMEG-YYLIZZNMSA-N
XLogP3.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[2-(tert-butylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620334
methyl 5-methoxy-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120625991
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120617172) is (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LBXPREMVBGHMEG-YYLIZZNMSA-N. The full InChI is InChI=1S/C21H25N3O3.ClH/c1-14-12-15(10-11-22-14)20(25)24-19-9-4-3-8-18(19)21(26)23-16-6-5-7-17(13-16)27-2;/h3-9,13-15,22H,10-12H2,1-2H3,(H,23,26)(H,24,25);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).