3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide

C17H22N4O3 — CID 50831233

IUPAC3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCC1
InChIInChI=1S/C17H22N4O3/c22-15(19-8-4-5-9-19)12-20-10-11-21(13-16(20)23)17(24)18-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,18,24)
InChIKeyPNVUTQOZMMAVSL-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.99
Rot. Bonds3

About 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide

3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 50831233) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID50831233
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCC1
InChIInChI=1S/C17H22N4O3/c22-15(19-8-4-5-9-19)12-20-10-11-21(13-16(20)23)17(24)18-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,18,24)
InChIKeyPNVUTQOZMMAVSL-UHFFFAOYSA-N
XLogP0.99
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 50831198
N-(4-chlorophenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831289
4-[2-(3-oxopiperazin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094213
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-N-phenylpiperazine-1-carboxamide
CID 18094262
N-(4-bromophenyl)-4-[2-(2-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832820
N-(4-fluorophenyl)-4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50832895
N-(4-bromophenyl)-3-oxo-4-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperazine-1-carboxamide
CID 93072611
(Z)-3-anilino-2-isocyano-3-[[2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]amino]prop-2-enenitrile
CID 59049432
4-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-N-(4-chlorophenyl)-3-oxopiperazine-1-carboxamide
CID 50831187
N-(4-fluorophenyl)-4-[2-(3-methylbutylamino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 50831401

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide (CID 50831233) is 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2)CC1=O)N1CCCC1.
What is the InChIKey of 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is PNVUTQOZMMAVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c22-15(19-8-4-5-9-19)12-20-10-11-21(13-16(20)23)17(24)18-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,18,24).
What are the key properties of 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4-(2-oxo-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 50831233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).