1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one

C18H25N3O2 — CID 74251567

IUPAC1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17-8-4-11-20(17)12-5-9-18(23)21-13-10-19-16(14-21)15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyLVWFVIRUFAQTNV-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.56
Rot. Bonds5

About 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one

1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one (PubChem CID 74251567) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
PubChem CID74251567
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c22-17-8-4-11-20(17)12-5-9-18(23)21-13-10-19-16(14-21)15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2
InChIKeyLVWFVIRUFAQTNV-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110481652
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
1-[4-[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]-4-oxobutyl]pyrrolidin-2-one
CID 124756894
1-[4-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]pyrrolidin-2-one
CID 91838729
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621734
(2R)-2-phenyl-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one
CID 142706599
1-[4-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95800209
1-[4-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-4-oxobutyl]pyrrolidin-2-one
CID 72867451

Frequently Asked Questions

What is the IUPAC name of 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one (CID 74251567) is 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one?
The InChIKey is LVWFVIRUFAQTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-8-4-11-20(17)12-5-9-18(23)21-13-10-19-16(14-21)15-6-2-1-3-7-15/h1-3,6-7,16,19H,4-5,8-14H2.
What are the key properties of 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one?
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one is sourced from PubChem (CID 74251567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).