(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

C22H28ClN3O4 — CID 120617088

IUPAC(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-14-11-16(9-10-23-14)22(27)25-18-13-19(28-2)17(12-20(18)29-3)24-21(26)15-7-5-4-6-8-15;/h4-8,12-14,16,23H,9-11H2,1-3H3,(H,24,26)(H,25,27);1H/t14-,16-;/m0./s1
InChIKeyYOBGBTPQNHGHNU-DMLYUBSXSA-N
MW433.94 g/mol
LogP3.70
Rot. Bonds6

About (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120617088) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120617088
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)cc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H27N3O4.ClH/c1-14-11-16(9-10-23-14)22(27)25-18-13-19(28-2)17(12-20(18)29-3)24-21(26)15-7-5-4-6-8-15;/h4-8,12-14,16,23H,9-11H2,1-3H3,(H,24,26)(H,25,27);1H/t14-,16-;/m0./s1
InChIKeyYOBGBTPQNHGHNU-DMLYUBSXSA-N
XLogP3.70
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-(3-benzamido-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120624536
N-[4-[(3-aminocyclopentanecarbonyl)amino]-2,5-dimethoxyphenyl]benzamide
CID 119679316
(2S,4S)-N-(5-bromo-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623124
(2S,4S)-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631536
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
(2S,4S)-N-(2-hydroxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631829
(2S,4S)-2-methyl-N-(2,3,4-trimethoxyphenyl)piperidine-4-carboxamide
CID 120629024
(2S,4S)-2-methyl-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120620900
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172
(2S,4S)-N-[2-(methoxymethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120622248

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120617088) is (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is COc1cc(NC(=O)[C@H]2CCN[C@@H](C)C2)c(OC)cc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YOBGBTPQNHGHNU-DMLYUBSXSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/c1-14-11-16(9-10-23-14)22(27)25-18-13-19(28-2)17(12-20(18)29-3)24-21(26)15-7-5-4-6-8-15;/h4-8,12-14,16,23H,9-11H2,1-3H3,(H,24,26)(H,25,27);1H/t14-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-benzamido-2,5-dimethoxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120617088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).