3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride

C15H22ClN3O2 — CID 119597231

IUPAC3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(C(N)=O)c2)C1CN.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-4-3-7-18(13(10)9-16)15(20)12-6-2-5-11(8-12)14(17)19;/h2,5-6,8,10,13H,3-4,7,9,16H2,1H3,(H2,17,19);1H
InChIKeyWMGSUZBQOKFSKQ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.41
Rot. Bonds3

About 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride

3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride (PubChem CID 119597231) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
PubChem CID119597231
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
SMILESCC1CCCN(C(=O)c2cccc(C(N)=O)c2)C1CN.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-10-4-3-7-18(13(10)9-16)15(20)12-6-2-5-11(8-12)14(17)19;/h2,5-6,8,10,13H,3-4,7,9,16H2,1H3,(H2,17,19);1H
InChIKeyWMGSUZBQOKFSKQ-UHFFFAOYSA-N
XLogP1.41
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-phenylmethoxyphenyl)methanone;hydrochloride
CID 119597209
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride (CID 119597231) is 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride is CC1CCCN(C(=O)c2cccc(C(N)=O)c2)C1CN.Cl.
What is the InChIKey of 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is WMGSUZBQOKFSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-10-4-3-7-18(13(10)9-16)15(20)12-6-2-5-11(8-12)14(17)19;/h2,5-6,8,10,13H,3-4,7,9,16H2,1H3,(H2,17,19);1H.
What are the key properties of 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride?
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 119597231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).