5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide

C21H27N3O — CID 120645363

IUPAC5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-16-7-8-19(22)13-20(16)21(25)23-14-17-9-11-24(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeyYZCZJVLZAVXVSH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.22
Rot. Bonds5

About 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide

5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide (PubChem CID 120645363) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
PubChem CID120645363
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-16-7-8-19(22)13-20(16)21(25)23-14-17-9-11-24(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25)
InChIKeyYZCZJVLZAVXVSH-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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

5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
CID 120645543
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
5-amino-2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120636550
5-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645819
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 47920766
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide (CID 120645363) is 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide?
The InChIKey is YZCZJVLZAVXVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-7-8-19(22)13-20(16)21(25)23-14-17-9-11-24(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15,22H2,1H3,(H,23,25).
What are the key properties of 5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide?
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 3.22, 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-4-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 120645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).