1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

C26H33N3O2 — CID 55866339

IUPAC1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1=O
InChIInChI=1S/C26H33N3O2/c1-3-20-9-6-7-11-24(20)29-18-22(16-25(29)30)26(31)27-23-12-14-28(15-13-23)17-21-10-5-4-8-19(21)2/h4-11,22-23H,3,12-18H2,1-2H3,(H,27,31)
InChIKeyAUDAQWINKZZQSQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.69
Rot. Bonds6

About 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide

1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55866339) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55866339
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1=O
InChIInChI=1S/C26H33N3O2/c1-3-20-9-6-7-11-24(20)29-18-22(16-25(29)30)26(31)27-23-12-14-28(15-13-23)17-21-10-5-4-8-19(21)2/h4-11,22-23H,3,12-18H2,1-2H3,(H,27,31)
InChIKeyAUDAQWINKZZQSQ-UHFFFAOYSA-N
XLogP3.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 55754058
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
(3R)-N-(4-methylcyclohexyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056308
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
1-(2,3-dimethylphenyl)-5-oxo-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 55676988
(3S)-1-[2-[(2R)-butan-2-yl]phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 27536786
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49074173
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
ethyl 4-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 46581539
1-(2-ethoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 55945187
(3R)-N-[(2R)-butan-2-yl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 27210673

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 55866339) is 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AUDAQWINKZZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-3-20-9-6-7-11-24(20)29-18-22(16-25(29)30)26(31)27-23-12-14-28(15-13-23)17-21-10-5-4-8-19(21)2/h4-11,22-23H,3,12-18H2,1-2H3,(H,27,31).
What are the key properties of 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide?
1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55866339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).