ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate

C20H27N3O4 — CID 72901081

IUPACethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CC(Cc3ccccc3)CC2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-2-27-20(26)22-10-8-21(9-11-22)19(25)15-23-14-17(13-18(23)24)12-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyQTCWCUZRVVNUGY-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.38
Rot. Bonds5

About ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 72901081) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID72901081
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CC(Cc3ccccc3)CC2=O)CC1
InChIInChI=1S/C20H27N3O4/c1-2-27-20(26)22-10-8-21(9-11-22)19(25)15-23-14-17(13-18(23)24)12-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeyQTCWCUZRVVNUGY-UHFFFAOYSA-N
XLogP1.38
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4R)-4-benzyl-1-[2-(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrrolidin-2-one
CID 97270312
2-[(4R)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 97280005
4-benzyl-1-[2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-2-oxoethyl]pyrrolidin-2-one
CID 72906651
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
ethyl 4-[(3S)-6-oxo-1-(2-phenylethyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 42380861
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 97280098
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 72861028
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-(3-cyclopentylpropyl)-N-methylacetamide
CID 97273461
2-(4-benzyl-2-oxopyrrolidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 72901682
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676
ethyl 4-[2-(N-benzylanilino)acetyl]piperazine-1-carboxylate
CID 109003906

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate (CID 72901081) is ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CC(Cc3ccccc3)CC2=O)CC1.
What is the InChIKey of ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is QTCWCUZRVVNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-27-20(26)22-10-8-21(9-11-22)19(25)15-23-14-17(13-18(23)24)12-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3.
What are the key properties of ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-benzyl-2-oxopyrrolidin-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 72901081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).