3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one

C19H26ClN3O2 — CID 120771158

IUPAC3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCNCC2c2cccc(Cl)c2)CCN1C1CCOCC1
InChIInChI=1S/C19H26ClN3O2/c20-15-3-1-2-14(12-15)18-13-21-7-9-23(18)17-4-8-22(19(17)24)16-5-10-25-11-6-16/h1-3,12,16-18,21H,4-11,13H2
InChIKeyPDHLMCUILGAZJY-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.07
Rot. Bonds3

About 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one

3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 120771158) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID120771158
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC Name3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(N2CCNCC2c2cccc(Cl)c2)CCN1C1CCOCC1
InChIInChI=1S/C19H26ClN3O2/c20-15-3-1-2-14(12-15)18-13-21-7-9-23(18)17-4-8-22(19(17)24)16-5-10-25-11-6-16/h1-3,12,16-18,21H,4-11,13H2
InChIKeyPDHLMCUILGAZJY-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methoxyphenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 120754001
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
2-(3-chlorophenyl)-1-[2-(oxolan-3-yl)ethyl]piperazine;hydrochloride
CID 120846874
2-[2-(3-chlorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 120770750
1-(benzenesulfonyl)-2-(3-chlorophenyl)piperazine
CID 120776858
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
5-[[2-(3-chlorophenyl)piperazin-1-yl]sulfonylmethyl]-3-methyl-1,2-oxazole
CID 120776934
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
2-(3-chlorophenyl)-N,N-diethylpiperazine-1-sulfonamide
CID 120776944
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
2-(3-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)piperazine;hydrochloride
CID 120776793

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one (CID 120771158) is 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one is O=C1C(N2CCNCC2c2cccc(Cl)c2)CCN1C1CCOCC1.
What is the InChIKey of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is PDHLMCUILGAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c20-15-3-1-2-14(12-15)18-13-21-7-9-23(18)17-4-8-22(19(17)24)16-5-10-25-11-6-16/h1-3,12,16-18,21H,4-11,13H2.
What are the key properties of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one?
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 363.89 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 120771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).