N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride

C14H20ClN3O2 — CID 119380136

IUPACN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2.ClH/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,15H2,(H,16,19);1H
InChIKeyRHJQSMUVOTWSSK-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.79
Rot. Bonds3

About N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride

N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride (PubChem CID 119380136) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
PubChem CID119380136
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
SMILESCl.NC1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C14H19N3O2.ClH/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,15H2,(H,16,19);1H
InChIKeyRHJQSMUVOTWSSK-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
1-(3-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one;hydrochloride
CID 119380726
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-chloro-6-nitrobenzamide;hydrochloride
CID 119380089
N-[3-(3-aminopiperidin-1-yl)-3-oxopropyl]-4-bromobenzamide
CID 119380849
methyl 2-[1-[(3S)-1-(2-benzamidoacetyl)piperidine-3-carbonyl]piperidin-4-yl]acetate
CID 95860362
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride (CID 119380136) is N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride is Cl.NC1CCCN(C(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
The InChIKey is RHJQSMUVOTWSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c15-12-7-4-8-17(10-12)13(18)9-16-14(19)11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,15H2,(H,16,19);1H.
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride?
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride is sourced from PubChem (CID 119380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).