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

C13H19N3O — CID 139966518

IUPAC2-(aminomethyl)-N-piperidin-4-ylbenzamide
SMILESNCc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C13H19N3O/c14-9-10-3-1-2-4-12(10)13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9,14H2,(H,16,17)
InChIKeyNPILSKVTMDESEA-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.63
Rot. Bonds3

About 2-(aminomethyl)-N-piperidin-4-ylbenzamide

2-(aminomethyl)-N-piperidin-4-ylbenzamide (PubChem CID 139966518) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-piperidin-4-ylbenzamide
PubChem CID139966518
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(aminomethyl)-N-piperidin-4-ylbenzamide
SMILESNCc1ccccc1C(=O)NC1CCNCC1
InChIInChI=1S/C13H19N3O/c14-9-10-3-1-2-4-12(10)13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9,14H2,(H,16,17)
InChIKeyNPILSKVTMDESEA-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

2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
2-methoxy-N-piperidin-4-ylbenzamide
CID 16780894
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
CID 119389714
2-(phenoxymethyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451945
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
N-piperidin-4-yl-2-prop-2-enoxybenzamide
CID 119390242
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-(aminomethyl)-N-piperidin-4-ylbenzamide (CID 139966518) is 2-(aminomethyl)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-(aminomethyl)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-(aminomethyl)-N-piperidin-4-ylbenzamide is NCc1ccccc1C(=O)NC1CCNCC1.
What is the InChIKey of 2-(aminomethyl)-N-piperidin-4-ylbenzamide?
The InChIKey is NPILSKVTMDESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-10-3-1-2-4-12(10)13(17)16-11-5-7-15-8-6-11/h1-4,11,15H,5-9,14H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-piperidin-4-ylbenzamide?
2-(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 2-(aminomethyl)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 139966518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).