N-benzyl-N'-(piperidine-4-carbonyl)oxamide

C15H19N3O3 — CID 108508974

IUPACN-benzyl-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-13(12-6-8-16-9-7-12)18-15(21)14(20)17-10-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20)(H,18,19,21)
InChIKeyWNIDPQIUYBTWEF-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.05
Rot. Bonds3

About N-benzyl-N'-(piperidine-4-carbonyl)oxamide

N-benzyl-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108508974) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-benzyl-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108508974
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-benzyl-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)NC(=O)C1CCNCC1
InChIInChI=1S/C15H19N3O3/c19-13(12-6-8-16-9-7-12)18-15(21)14(20)17-10-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20)(H,18,19,21)
InChIKeyWNIDPQIUYBTWEF-UHFFFAOYSA-N
XLogP-0.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-benzylpiperidine-4-carboxamide
CID 3868064
N-[[3-(aminomethyl)phenyl]methyl]-N'-(piperidine-4-carbonyl)oxamide
CID 108519038
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
N'-(2-phenylacetyl)piperidine-4-carbohydrazide
CID 82121690
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
benzylcarbamic acid;piperidine-4-carbaldehyde
CID 174390910
N-(2-phenylmethoxyethyl)piperidine-4-carboxamide
CID 89441554

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-benzyl-N'-(piperidine-4-carbonyl)oxamide (CID 108508974) is N-benzyl-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-benzyl-N'-(piperidine-4-carbonyl)oxamide is O=C(NCc1ccccc1)C(=O)NC(=O)C1CCNCC1.
What is the InChIKey of N-benzyl-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is WNIDPQIUYBTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-13(12-6-8-16-9-7-12)18-15(21)14(20)17-10-11-4-2-1-3-5-11/h1-5,12,16H,6-10H2,(H,17,20)(H,18,19,21).
What are the key properties of N-benzyl-N'-(piperidine-4-carbonyl)oxamide?
N-benzyl-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 289.33 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108508974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).