[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate

C24H28N2O4 — CID 55467847

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-2-21(18-9-5-3-6-10-18)24(29)30-17-22(27)26-15-13-19(14-16-26)23(28)25-20-11-7-4-8-12-20/h3-12,19,21H,2,13-17H2,1H3,(H,25,28)
InChIKeyQBRIMCOFNFFCGD-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.60
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate (PubChem CID 55467847) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
PubChem CID55467847
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N2O4/c1-2-21(18-9-5-3-6-10-18)24(29)30-17-22(27)26-15-13-19(14-16-26)23(28)25-20-11-7-4-8-12-20/h3-12,19,21H,2,13-17H2,1H3,(H,25,28)
InChIKeyQBRIMCOFNFFCGD-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
N-phenyl-1-[2-(4-propanoylphenoxy)acetyl]piperidine-4-carboxamide
CID 51214187
(phenylcarbamoylamino) 2-phenylbutanoate
CID 87787632
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 41472626
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 42090586
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 2-phenylbutanoate
CID 71820790
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 47015829

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate (CID 55467847) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate?
The InChIKey is QBRIMCOFNFFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-21(18-9-5-3-6-10-18)24(29)30-17-22(27)26-15-13-19(14-16-26)23(28)25-20-11-7-4-8-12-20/h3-12,19,21H,2,13-17H2,1H3,(H,25,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate has a molecular weight of 408.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate is sourced from PubChem (CID 55467847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).