4-(aminomethyl)-N-piperidin-4-ylbenzamide

C13H19N3O — CID 110463043

IUPAC4-(aminomethyl)-N-piperidin-4-ylbenzamide
SMILESNCc1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-4,12,15H,5-9,14H2,(H,16,17)
InChIKeyHXMKJTKUYNIJIF-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.63
Rot. Bonds3

About 4-(aminomethyl)-N-piperidin-4-ylbenzamide

4-(aminomethyl)-N-piperidin-4-ylbenzamide (PubChem CID 110463043) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-piperidin-4-ylbenzamide
PubChem CID110463043
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(aminomethyl)-N-piperidin-4-ylbenzamide
SMILESNCc1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C13H19N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-4,12,15H,5-9,14H2,(H,16,17)
InChIKeyHXMKJTKUYNIJIF-UHFFFAOYSA-N
XLogP0.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-(difluoromethylsulfonylmethyl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390401
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
4-[3-[4-(aminomethyl)phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-piperidin-4-ylbenzamide
CID 66582011
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-ethylsulfonyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389761
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[[4-(piperidin-4-ylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 119387048
ethyl 4-[[4-(aminomethyl)benzoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297435
N-[(4S)-azepan-4-yl]benzamide
CID 146196053

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-piperidin-4-ylbenzamide (CID 110463043) is 4-(aminomethyl)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-piperidin-4-ylbenzamide is NCc1ccc(C(=O)NC2CCNCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-piperidin-4-ylbenzamide?
The InChIKey is HXMKJTKUYNIJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-10-1-3-11(4-2-10)13(17)16-12-5-7-15-8-6-12/h1-4,12,15H,5-9,14H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-piperidin-4-ylbenzamide?
4-(aminomethyl)-N-piperidin-4-ylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 110463043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).