5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

C16H18ClN3O3 — CID 14053726

IUPAC5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)N1
InChIInChI=1S/C16H18ClN3O3/c17-12-4-2-1-3-11(12)15(22)19-7-9-20(10-8-19)16(23)13-5-6-14(21)18-13/h1-4,13H,5-10H2,(H,18,21)
InChIKeyLHCJYOFDZWIOBL-UHFFFAOYSA-N
MW335.79 g/mol
LogP0.90
Rot. Bonds2

About 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 14053726) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID14053726
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)N1
InChIInChI=1S/C16H18ClN3O3/c17-12-4-2-1-3-11(12)15(22)19-7-9-20(10-8-19)16(23)13-5-6-14(21)18-13/h1-4,13H,5-10H2,(H,18,21)
InChIKeyLHCJYOFDZWIOBL-UHFFFAOYSA-N
XLogP0.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[4-(2,6-dichlorophenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 9299449
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 84589800
5-[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepane-4-carbonyl]pyrrolidin-2-one
CID 121192722
5-[4-(3-chloro-4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816232
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
5-[4-[(2-chloro-6-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 137342449
5-[4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053735
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 14053726) is 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)N1.
What is the InChIKey of 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is LHCJYOFDZWIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-4-2-1-3-11(12)15(22)19-7-9-20(10-8-19)16(23)13-5-6-14(21)18-13/h1-4,13H,5-10H2,(H,18,21).
What are the key properties of 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 335.79 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 14053726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).