4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one

C18H21ClFN3O3 — CID 143955885

IUPAC4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccc(Cl)c(F)c3)C2)CC1
InChIInChI=1S/C18H21ClFN3O3/c1-12(24)21-4-6-22(7-5-21)18(26)14-9-17(25)23(11-14)10-13-2-3-15(19)16(20)8-13/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyQXSBECYBTCAORJ-UHFFFAOYSA-N
MW381.84 g/mol
LogP1.52
Rot. Bonds3

About 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one

4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 143955885) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID143955885
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccc(Cl)c(F)c3)C2)CC1
InChIInChI=1S/C18H21ClFN3O3/c1-12(24)21-4-6-22(7-5-21)18(26)14-9-17(25)23(11-14)10-13-2-3-15(19)16(20)8-13/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyQXSBECYBTCAORJ-UHFFFAOYSA-N
XLogP1.52
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(4S)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 9145709
4-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 55879779
(3R)-1-[(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 94471729
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147002
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673
4-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1-[(4-chlorophenyl)methyl]pyrrolidin-2-one
CID 42656101
1-[(3-bromo-4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691429
(3R)-1-[(3,4-dichlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 9147001
1-[(2-chlorophenyl)methyl]-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 42653481
(4R)-1-[(4-methylphenyl)methyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7892722

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one (CID 143955885) is 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one is CC(=O)N1CCN(C(=O)C2CC(=O)N(Cc3ccc(Cl)c(F)c3)C2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is QXSBECYBTCAORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3/c1-12(24)21-4-6-22(7-5-21)18(26)14-9-17(25)23(11-14)10-13-2-3-15(19)16(20)8-13/h2-3,8,14H,4-7,9-11H2,1H3.
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one?
4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 381.84 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 143955885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).