ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate

C20H27N3O4 — CID 108876410

IUPACethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-2-27-19(25)16-8-10-22(11-9-16)20(26)21-17-12-18(24)23(14-17)13-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3,(H,21,26)
InChIKeyLSQNWFDQHDPHMC-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.77
Rot. Bonds5

About ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate

ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate (PubChem CID 108876410) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
PubChem CID108876410
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-2-27-19(25)16-8-10-22(11-9-16)20(26)21-17-12-18(24)23(14-17)13-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3,(H,21,26)
InChIKeyLSQNWFDQHDPHMC-UHFFFAOYSA-N
XLogP1.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-(1-benzyl-5-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 108876487
N-(1-benzyl-5-oxopyrrolidin-3-yl)thiomorpholine-4-carboxamide
CID 56826197
N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-ethylpiperidine-1-carboxamide
CID 108876535
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
N-(1-benzyl-5-oxopyrrolidin-3-yl)-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 108876723
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980
ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7546865
1-[(1-ethyl-5-oxopyrrolidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122016509
1-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(1-methylpiperidin-4-yl)urea
CID 95598501
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
dodecyl 1-benzyl-5-oxopyrrolidine-3-carboxylate;ethyl 1-dodecyl-5-oxopyrrolidine-3-carboxylate;methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate;methyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 159131619
3-(1-benzyl-5-oxopyrrolidin-3-yl)-1,1-dipropylurea
CID 108876584

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate (CID 108876410) is ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate?
The InChIKey is LSQNWFDQHDPHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-27-19(25)16-8-10-22(11-9-16)20(26)21-17-12-18(24)23(14-17)13-15-6-4-3-5-7-15/h3-7,16-17H,2,8-14H2,1H3,(H,21,26).
What are the key properties of ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate?
ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-benzyl-5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108876410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).