1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

C17H24FN3O — CID 47520387

IUPAC1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3O/c18-15-5-1-2-6-16(15)20-13-11-19(12-14-20)8-4-10-21-9-3-7-17(21)22/h1-2,5-6H,3-4,7-14H2
InChIKeyMGTPYLFWTZXXKA-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.96
Rot. Bonds5

About 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 47520387) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID47520387
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3O/c18-15-5-1-2-6-16(15)20-13-11-19(12-14-20)8-4-10-21-9-3-7-17(21)22/h1-2,5-6H,3-4,7-14H2
InChIKeyMGTPYLFWTZXXKA-UHFFFAOYSA-N
XLogP1.96
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]phthalazine-1-carboxamide
CID 42878256
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47522140
1-[3-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 3865579
1-[3-[(2-fluorophenyl)methylsulfanyl]propyl]pyrrolidin-2-one
CID 139017187
1-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butyl]azepan-2-one
CID 24880921
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-2-amine
CID 82852919
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
CID 64818951

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one (CID 47520387) is 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is MGTPYLFWTZXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-15-5-1-2-6-16(15)20-13-11-19(12-14-20)8-4-10-21-9-3-7-17(21)22/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 305.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 47520387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).