4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C19H23Cl2N3O3 — CID 108535541

IUPAC4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-12(2)24-11-13(9-17(24)25)18(26)22-5-7-23(8-6-22)19(27)15-10-14(20)3-4-16(15)21/h3-4,10,12-13H,5-9,11H2,1-2H3
InChIKeyPAVFAYLGKVTAFL-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.53
Rot. Bonds3

About 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 108535541) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID108535541
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1=O
InChIInChI=1S/C19H23Cl2N3O3/c1-12(2)24-11-13(9-17(24)25)18(26)22-5-7-23(8-6-22)19(27)15-10-14(20)3-4-16(15)21/h3-4,10,12-13H,5-9,11H2,1-2H3
InChIKeyPAVFAYLGKVTAFL-UHFFFAOYSA-N
XLogP2.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177
1-propan-2-yl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546353
4-[4-[2-(2-chlorophenyl)acetyl]piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 48597700
4-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346182
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 110346217
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
4-[4-(4-bromobenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545044
4-[4-(5-chloro-2-fluorobenzoyl)piperazine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one
CID 46470880
4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
1-(2,5-dichlorophenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113191047
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552516
1-(1-phenylethyl)-4-[4-(2-sulfanylbenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535383

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 108535541) is 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)CC1=O.
What is the InChIKey of 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is PAVFAYLGKVTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-12(2)24-11-13(9-17(24)25)18(26)22-5-7-23(8-6-22)19(27)15-10-14(20)3-4-16(15)21/h3-4,10,12-13H,5-9,11H2,1-2H3.
What are the key properties of 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 412.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dichlorobenzoyl)piperazine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 108535541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).