4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

C18H24FN3O2 — CID 46109607

IUPAC4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-2-20-7-9-21(10-8-20)18(24)15-11-17(23)22(13-15)12-14-3-5-16(19)6-4-14/h3-6,15H,2,7-13H2,1H3
InChIKeyASFIHMKCNOVURD-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.34
Rot. Bonds4

About 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 46109607) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID46109607
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCCN1CCN(C(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1
InChIInChI=1S/C18H24FN3O2/c1-2-20-7-9-21(10-8-20)18(24)15-11-17(23)22(13-15)12-14-3-5-16(19)6-4-14/h3-6,15H,2,7-13H2,1H3
InChIKeyASFIHMKCNOVURD-UHFFFAOYSA-N
XLogP1.34
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
CID 81582
N-benzyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3239373
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
3-Methyl-1-[4-(2-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 773338
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
1-(3-Fluorobenzoyl)-4-(3-methylbutanoyl)piperazine
CID 704283
3-(4-Benzylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 2853692
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
1-cyclooctyl-N-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
CID 4251323
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851918
3-(4-Methylpiperazin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 3842538

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one (CID 46109607) is 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is CCN1CCN(C(=O)C2CC(=O)N(Cc3ccc(F)cc3)C2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is ASFIHMKCNOVURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-2-20-7-9-21(10-8-20)18(24)15-11-17(23)22(13-15)12-14-3-5-16(19)6-4-14/h3-6,15H,2,7-13H2,1H3.
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one?
4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 333.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 46109607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).