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

C23H28N4O2 — CID 17438630

IUPAC4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(26-13-7-8-14-26)21(19-9-3-1-4-10-19)25-15-17-27(18-16-25)23(29)24-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,24,29)
InChIKeyDOXRSAUQHKHVNB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds4

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

4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 17438630) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
PubChem CID17438630
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(26-13-7-8-14-26)21(19-9-3-1-4-10-19)25-15-17-27(18-16-25)23(29)24-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,24,29)
InChIKeyDOXRSAUQHKHVNB-UHFFFAOYSA-N
XLogP3.20
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
N-(4-fluorophenyl)-2-[4-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperazin-1-yl]acetamide
CID 30734011
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 46662933
N-(2-hydroxyphenyl)-1-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41099612
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide (CID 17438630) is 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C(C(=O)N2CCCC2)c2ccccc2)CC1.
What is the InChIKey of 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is DOXRSAUQHKHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(26-13-7-8-14-26)21(19-9-3-1-4-10-19)25-15-17-27(18-16-25)23(29)24-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,24,29).
What are the key properties of 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide?
4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17438630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).