N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide

C20H23N3O2 — CID 120568951

IUPACN-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-14-7-8-17(21)13-18(14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-3-2-4-6-16/h2-8,13,15H,9-12,21H2,1H3,(H,22,24)
InChIKeyJALNQCIFEGIFAD-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.07
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide

N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide (PubChem CID 120568951) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
PubChem CID120568951
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-14-7-8-17(21)13-18(14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-3-2-4-6-16/h2-8,13,15H,9-12,21H2,1H3,(H,22,24)
InChIKeyJALNQCIFEGIFAD-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
N-(5-amino-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 120568777
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
N-(2-amino-5-phenylphenyl)-1-benzoylpiperidine-4-carboxamide
CID 59737223
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
N-(2,3-dimethylphenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126069157
1-benzoyl-N-[2,6-di(propan-2-yl)phenyl]piperidine-4-carboxamide
CID 113008347
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(1-benzoylpiperidin-4-yl)-3-(2,5-dimethylphenyl)thiourea
CID 94472172
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-[2-(ethylaminomethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119440143
1-benzoyl-N-(2-butan-2-ylphenyl)piperidine-4-carboxamide
CID 17018975

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide (CID 120568951) is N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide is Cc1ccc(N)cc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide?
The InChIKey is JALNQCIFEGIFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-8-17(21)13-18(14)22-19(24)15-9-11-23(12-10-15)20(25)16-5-3-2-4-6-16/h2-8,13,15H,9-12,21H2,1H3,(H,22,24).
What are the key properties of N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide?
N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 120568951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).