propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate

C23H26N2O4 — CID 29135302

IUPACpropyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-15-29-23(28)17-9-11-18(12-10-17)24-22(27)19-13-14-20(26)25(2)21(19)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,24,27)/t19-,21-/m1/s1
InChIKeyDWYFTBYGCCHRKE-TZIWHRDSSA-N
MW394.47 g/mol
LogP3.80
Rot. Bonds6

About propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate

propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate (PubChem CID 29135302) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
PubChem CID29135302
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namepropyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-15-29-23(28)17-9-11-18(12-10-17)24-22(27)19-13-14-20(26)25(2)21(19)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,24,27)/t19-,21-/m1/s1
InChIKeyDWYFTBYGCCHRKE-TZIWHRDSSA-N
XLogP3.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
(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
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 122137918
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate (CID 29135302) is propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The InChIKey is DWYFTBYGCCHRKE-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-15-29-23(28)17-9-11-18(12-10-17)24-22(27)19-13-14-20(26)25(2)21(19)16-7-5-4-6-8-16/h4-12,19,21H,3,13-15H2,1-2H3,(H,24,27)/t19-,21-/m1/s1.
What are the key properties of propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 29135302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).