1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide

C21H23N3O3 — CID 45001400

IUPAC1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c22-19(25)17-11-13-24(14-12-17)21(27)20(26)23-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,22,25)(H,23,26)
InChIKeyYNTYSGXBECOUHW-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.62
Rot. Bonds4

About 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 45001400) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID45001400
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23N3O3/c22-19(25)17-11-13-24(14-12-17)21(27)20(26)23-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,22,25)(H,23,26)
InChIKeyYNTYSGXBECOUHW-UHFFFAOYSA-N
XLogP1.62
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
N-benzhydryl-2-oxo-2-piperidin-1-ylacetamide
CID 108508001
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108508045
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 45204131
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide (CID 45001400) is 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is YNTYSGXBECOUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-19(25)17-11-13-24(14-12-17)21(27)20(26)23-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,22,25)(H,23,26).
What are the key properties of 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzhydrylamino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 45001400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).