5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide

C21H27N3O — CID 120645194

IUPAC5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H27N3O/c1-16-10-11-18(22)13-20(16)21(25)23-14-19-9-5-6-12-24(19)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,19H,5-6,9,12,14-15,22H2,1H3,(H,23,25)
InChIKeyJPULQXDDDLDOIP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.36
Rot. Bonds5

About 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide

5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide (PubChem CID 120645194) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
PubChem CID120645194
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C21H27N3O/c1-16-10-11-18(22)13-20(16)21(25)23-14-19-9-5-6-12-24(19)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,19H,5-6,9,12,14-15,22H2,1H3,(H,23,25)
InChIKeyJPULQXDDDLDOIP-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
N-[(1-benzylpyrrolidin-2-yl)methyl]-5-(methanesulfonamido)-2-methoxy-4-methylbenzamide
CID 12849710
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-4-chloro-3-(methanesulfonamido)benzamide
CID 52798238
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
ethyl 1-[N-[(1-benzylpiperidin-2-yl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157897
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide (CID 120645194) is 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide?
The InChIKey is JPULQXDDDLDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-10-11-18(22)13-20(16)21(25)23-14-19-9-5-6-12-24(19)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,19H,5-6,9,12,14-15,22H2,1H3,(H,23,25).
What are the key properties of 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide?
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 120645194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).