ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

C20H27N3O4 — CID 113185227

IUPACethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)N(C)c3ccccc3)CC2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-3-27-20(26)22-11-9-17(10-12-22)23-14-15(13-18(23)24)19(25)21(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyGJTXUJAMGCZJBI-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.12
Rot. Bonds4

About ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 113185227) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID113185227
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)N(C)c3ccccc3)CC2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-3-27-20(26)22-11-9-17(10-12-22)23-14-15(13-18(23)24)19(25)21(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3
InChIKeyGJTXUJAMGCZJBI-UHFFFAOYSA-N
XLogP2.12
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185234
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185239
ethyl 4-(2-oxo-4-sulfanylpyrrolidin-1-yl)piperidine-1-carboxylate
CID 168708224
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185240
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
ethyl 4-[[2-[methyl(phenyl)carbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109138897
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
ethyl 4-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168713733
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46110134
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (CID 113185227) is ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CC(C(=O)N(C)c3ccccc3)CC2=O)CC1.
What is the InChIKey of ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is GJTXUJAMGCZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-3-27-20(26)22-11-9-17(10-12-22)23-14-15(13-18(23)24)19(25)21(2)16-7-5-4-6-8-16/h4-8,15,17H,3,9-14H2,1-2H3.
What are the key properties of ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 113185227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).