1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C23H28N4O4 — CID 37177808

IUPAC1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-31-20-10-6-5-9-19(20)25-22(29)18-11-13-27(14-12-18)16-21(28)26-23(30)24-15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,25,29)(H2,24,26,28,30)
InChIKeyFKXCHALAEXUKAG-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.37
Rot. Bonds7

About 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 37177808) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID37177808
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O4/c1-31-20-10-6-5-9-19(20)25-22(29)18-11-13-27(14-12-18)16-21(28)26-23(30)24-15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,25,29)(H2,24,26,28,30)
InChIKeyFKXCHALAEXUKAG-UHFFFAOYSA-N
XLogP2.37
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
N-benzyl-1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 26653754
1-[1-(benzylamino)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 46444393
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
1-[2-(4-iodoanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680524
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55680561
1-[2-[(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181607
1-[(2S)-2-hydroxy-2-phenylethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37181625
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 37177808) is 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(CC(=O)NC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is FKXCHALAEXUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-31-20-10-6-5-9-19(20)25-22(29)18-11-13-27(14-12-18)16-21(28)26-23(30)24-15-17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,25,29)(H2,24,26,28,30).
What are the key properties of 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylcarbamoylamino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 37177808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).