4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C19H21ClFN3O3 — CID 110346141

IUPAC4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C19H21ClFN3O3/c20-14-2-1-3-15(21)17(14)19(27)23-8-6-22(7-9-23)18(26)12-10-16(25)24(11-12)13-4-5-13/h1-3,12-13H,4-11H2
InChIKeyAZYOIXBIWPLFFL-UHFFFAOYSA-N
MW393.85 g/mol
LogP1.77
Rot. Bonds3

About 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 110346141) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID110346141
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C19H21ClFN3O3/c20-14-2-1-3-15(21)17(14)19(27)23-8-6-22(7-9-23)18(26)12-10-16(25)24(11-12)13-4-5-13/h1-3,12-13H,4-11H2
InChIKeyAZYOIXBIWPLFFL-UHFFFAOYSA-N
XLogP1.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119307921
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119756635
(4R)-1-[(3S)-1,1-dioxothiolan-3-yl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 25354358

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 110346141) is 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is O=C(c1c(F)cccc1Cl)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is AZYOIXBIWPLFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c20-14-2-1-3-15(21)17(14)19(27)23-8-6-22(7-9-23)18(26)12-10-16(25)24(11-12)13-4-5-13/h1-3,12-13H,4-11H2.
What are the key properties of 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 393.85 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 110346141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).