4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one

C23H27N3O3 — CID 113190760

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccccc3Oc3ccccc3)C2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-10-6-7-11-21(20)29-19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3
InChIKeyRBCZMAPKUKMGKH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.00
Rot. Bonds5

About 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one

4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one (PubChem CID 113190760) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
PubChem CID113190760
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(c3ccccc3Oc3ccccc3)C2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-10-6-7-11-21(20)29-19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3
InChIKeyRBCZMAPKUKMGKH-UHFFFAOYSA-N
XLogP3.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190755
4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080756
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 9351131
1-(2-methoxyphenyl)-4-(4-propylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 112790414
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 49070823
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
1-(2-ethoxyphenyl)-4-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55717950
1-(2,5-dimethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 17151870
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one (CID 113190760) is 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(c3ccccc3Oc3ccccc3)C2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
The InChIKey is RBCZMAPKUKMGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-10-6-7-11-21(20)29-19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113190760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).