2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide

C15H23N3O — CID 107654129

IUPAC2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccccc2)C1CN
InChIInChI=1S/C15H23N3O/c1-12-6-5-9-18(14(12)10-16)15(19)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeySXBAJCQYLDCKFE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds3

About 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide

2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide (PubChem CID 107654129) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
PubChem CID107654129
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCc2ccccc2)C1CN
InChIInChI=1S/C15H23N3O/c1-12-6-5-9-18(14(12)10-16)15(19)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)
InChIKeySXBAJCQYLDCKFE-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061
1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592809
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592808
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119597116
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
2-(aminomethyl)-3-methyl-N-phenylpyrrolidine-1-carboxamide
CID 102783638
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide (CID 107654129) is 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCc2ccccc2)C1CN.
What is the InChIKey of 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide?
The InChIKey is SXBAJCQYLDCKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-5-9-18(14(12)10-16)15(19)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide?
2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-benzyl-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 107654129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).