ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate

C22H24N2O4 — CID 42652876

IUPACethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-28-22(27)16-9-11-17(12-10-16)23-21(26)18-13-14-19(25)24(2)20(18)15-7-5-4-6-8-15/h4-12,18,20H,3,13-14H2,1-2H3,(H,23,26)
InChIKeyISCDLJNIDGUGFG-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.41
Rot. Bonds5

About ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate

ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate (PubChem CID 42652876) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
PubChem CID42652876
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C22H24N2O4/c1-3-28-22(27)16-9-11-17(12-10-16)23-21(26)18-13-14-19(25)24(2)20(18)15-7-5-4-6-8-15/h4-12,18,20H,3,13-14H2,1-2H3,(H,23,26)
InChIKeyISCDLJNIDGUGFG-UHFFFAOYSA-N
XLogP3.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29135302
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 122137918
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate (CID 42652876) is ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCC(=O)N(C)C2c2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate?
The InChIKey is ISCDLJNIDGUGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-28-22(27)16-9-11-17(12-10-16)23-21(26)18-13-14-19(25)24(2)20(18)15-7-5-4-6-8-15/h4-12,18,20H,3,13-14H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate?
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 42652876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).