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

C14H20ClN3O2 — CID 119468634

IUPAC3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-9-12-6-1-2-7-17(12)14(19)11-5-3-4-10(8-11)13(16)18;/h3-5,8,12H,1-2,6-7,9,15H2,(H2,16,18);1H
InChIKeySUDKYGSZTQRBLH-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.16
Rot. Bonds3

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

3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride (PubChem CID 119468634) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
PubChem CID119468634
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C14H19N3O2.ClH/c15-9-12-6-1-2-7-17(12)14(19)11-5-3-4-10(8-11)13(16)18;/h3-5,8,12H,1-2,6-7,9,15H2,(H2,16,18);1H
InChIKeySUDKYGSZTQRBLH-UHFFFAOYSA-N
XLogP1.16
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-ethyl-N-methylbenzamide;hydrochloride
CID 119634691
3-[2-(hydroxymethyl)piperidine-1-carbonyl]benzenecarbothioamide
CID 61407355
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
CID 124573502
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone;hydrochloride
CID 119633878

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The IUPAC name of 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride (CID 119468634) is 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The canonical SMILES for 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride is Cl.NCC1CCCCN1C(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
The InChIKey is SUDKYGSZTQRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-9-12-6-1-2-7-17(12)14(19)11-5-3-4-10(8-11)13(16)18;/h3-5,8,12H,1-2,6-7,9,15H2,(H2,16,18);1H.
What are the key properties of 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride?
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride is sourced from PubChem (CID 119468634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).