3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C21H24N4O3 — CID 55991364

IUPAC3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C21H24N4O3/c26-19(23-17-9-3-1-4-10-17)14-22-20(27)16-8-7-13-25(15-16)21(28)24-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyXLSOYMPGMVHAFQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.69
Rot. Bonds5

About 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 55991364) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID55991364
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESO=C(CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)Nc1ccccc1
InChIInChI=1S/C21H24N4O3/c26-19(23-17-9-3-1-4-10-17)14-22-20(27)16-8-7-13-25(15-16)21(28)24-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,22,27)(H,23,26)(H,24,28)
InChIKeyXLSOYMPGMVHAFQ-UHFFFAOYSA-N
XLogP2.69
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
(3R)-1-N-[4-(phenylcarbamoylamino)phenyl]-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 92900274
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
(3R)-1-N-phenyl-3-N-(thiophen-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 7435297
(3R)-3-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 32829511
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 55991364) is 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is O=C(CNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)Nc1ccccc1.
What is the InChIKey of 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is XLSOYMPGMVHAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-19(23-17-9-3-1-4-10-17)14-22-20(27)16-8-7-13-25(15-16)21(28)24-18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 55991364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).