benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate

C24H30N2O3 — CID 68941837

IUPACbenzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate
SMILESCCN1CCC(NC(=O)OCc2ccccc2)(c2cccc(C(C)C)c2)CC1=O
InChIInChI=1S/C24H30N2O3/c1-4-26-14-13-24(16-22(26)27,21-12-8-11-20(15-21)18(2)3)25-23(28)29-17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,25,28)
InChIKeyAWAMUHPNTUCQIN-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.57
Rot. Bonds6

About benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate

benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate (PubChem CID 68941837) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate
PubChem CID68941837
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namebenzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate
SMILESCCN1CCC(NC(=O)OCc2ccccc2)(c2cccc(C(C)C)c2)CC1=O
InChIInChI=1S/C24H30N2O3/c1-4-26-14-13-24(16-22(26)27,21-12-8-11-20(15-21)18(2)3)25-23(28)29-17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,25,28)
InChIKeyAWAMUHPNTUCQIN-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-benzyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 69170375
4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoic acid
CID 165466082
2-[4-methyl-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-2-oxoacetic acid
CID 66741713
benzyl N-[2-[(3-propan-2-ylbenzoyl)amino]ethyl]carbamate
CID 159867528
propan-2-yl 2-[4-[[(2R,3S)-3-acetamido-1-(3,5-difluorophenyl)-2-hydroxybutyl]amino]-2-oxo-4-(3-propan-2-ylphenyl)piperidin-1-yl]acetate
CID 68938953
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
CID 53216887
benzyl N-[(3R)-1-(3-aminopropyl)-3-methyl-2-oxopyrrolidin-3-yl]carbamate
CID 23626669
benzyl N-[4-(butan-2-ylcarbamoyl)-1-bicyclo[2.2.2]octanyl]carbamate
CID 141121357
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
ethyl 2,3,5-trifluoro-4-[1-(phenylmethoxycarbonylamino)cyclopropyl]benzoate
CID 10363157
(2S)-2-[(3S)-3-[(1R)-1-hydroxyethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 15543024
benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
CID 58748908

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate (CID 68941837) is benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate is CCN1CCC(NC(=O)OCc2ccccc2)(c2cccc(C(C)C)c2)CC1=O.
What is the InChIKey of benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate?
The InChIKey is AWAMUHPNTUCQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-26-14-13-24(16-22(26)27,21-12-8-11-20(15-21)18(2)3)25-23(28)29-17-19-9-6-5-7-10-19/h5-12,15,18H,4,13-14,16-17H2,1-3H3,(H,25,28).
What are the key properties of benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate?
benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-ethyl-2-oxo-4-(3-propan-2-ylphenyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 68941837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).