[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C23H27N3O4 — CID 7836718

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c1-25(16-18-8-4-2-5-9-18)21(27)17-30-22(28)19-12-14-26(15-13-19)23(29)24-20-10-6-3-7-11-20/h2-11,19H,12-17H2,1H3,(H,24,29)
InChIKeyKHBGPTKXMUDLLC-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.13
Rot. Bonds6

About [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836718) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836718
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4/c1-25(16-18-8-4-2-5-9-18)21(27)17-30-22(28)19-12-14-26(15-13-19)23(29)24-20-10-6-3-7-11-20/h2-11,19H,12-17H2,1H3,(H,24,29)
InChIKeyKHBGPTKXMUDLLC-UHFFFAOYSA-N
XLogP3.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836607
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150745
(4-phenylphenyl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836802
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836718) is [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is KHBGPTKXMUDLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-25(16-18-8-4-2-5-9-18)21(27)17-30-22(28)19-12-14-26(15-13-19)23(29)24-20-10-6-3-7-11-20/h2-11,19H,12-17H2,1H3,(H,24,29).
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).