N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119304562

IUPACN-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(19-16(21)14-8-5-9-17-11-14)15(20)18-10-13-6-3-2-4-7-13;/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNEXBOQGOCWITPJ-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.23
Rot. Bonds5

About N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride

N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119304562) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID119304562
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCCNC1)C(=O)NCc1ccccc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(19-16(21)14-8-5-9-17-11-14)15(20)18-10-13-6-3-2-4-7-13;/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNEXBOQGOCWITPJ-UHFFFAOYSA-N
XLogP1.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
N-(1-phenylmethoxypropan-2-yl)piperidine-3-carboxamide
CID 119335297
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
1-benzyl-3-(1-piperidin-3-ylethyl)urea
CID 107653393
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride (CID 119304562) is N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCCNC1)C(=O)NCc1ccccc1.Cl.
What is the InChIKey of N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NEXBOQGOCWITPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(19-16(21)14-8-5-9-17-11-14)15(20)18-10-13-6-3-2-4-7-13;/h2-4,6-7,12,14,17H,5,8-11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride?
N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119304562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).