(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C17H26ClN3O3 — CID 120621809

IUPAC(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12-11-14(7-8-18-12)17(22)20-10-9-19-16(21)13-3-5-15(23-2)6-4-13;/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,21)(H,20,22);1H/t12-,14-;/m0./s1
InChIKeyAIPQKSYIZBZZQV-KYSPHBLOSA-N
MW355.87 g/mol
LogP1.35
Rot. Bonds6

About (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621809) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621809
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12-11-14(7-8-18-12)17(22)20-10-9-19-16(21)13-3-5-15(23-2)6-4-13;/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,21)(H,20,22);1H/t12-,14-;/m0./s1
InChIKeyAIPQKSYIZBZZQV-KYSPHBLOSA-N
XLogP1.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[3-[(4-fluorobenzoyl)amino]propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632447
(2S,4S)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120623267
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
(2S,4S)-N-[1-(4-methoxyphenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120618239
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
(2S,4S)-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631586
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621809) is (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is COc1ccc(C(=O)NCCNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl.
What is the InChIKey of (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is AIPQKSYIZBZZQV-KYSPHBLOSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-12-11-14(7-8-18-12)17(22)20-10-9-19-16(21)13-3-5-15(23-2)6-4-13;/h3-6,12,14,18H,7-11H2,1-2H3,(H,19,21)(H,20,22);1H/t12-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).