3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one

C18H26ClN3O — CID 120771094

IUPAC3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCCN1C(=O)CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O/c1-14-4-3-9-22(14)18(23)7-10-21-11-8-20-13-17(21)15-5-2-6-16(19)12-15/h2,5-6,12,14,17,20H,3-4,7-11,13H2,1H3
InChIKeyKNTSKZQOSCFDHC-UHFFFAOYSA-N
MW335.88 g/mol
LogP2.69
Rot. Bonds4

About 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one

3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one (PubChem CID 120771094) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
PubChem CID120771094
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one
SMILESCC1CCCN1C(=O)CCN1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O/c1-14-4-3-9-22(14)18(23)7-10-21-11-8-20-13-17(21)15-5-2-6-16(19)12-15/h2,5-6,12,14,17,20H,3-4,7-11,13H2,1H3
InChIKeyKNTSKZQOSCFDHC-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 120770777
methyl 4-[2-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylbutanoate
CID 120846877
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
N-butan-2-yl-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 120770817
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-[2-(3-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120770801
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione;hydrochloride
CID 120802401
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120802347
1-[2-(benzenesulfonyl)ethyl]-2-(3-chlorophenyl)piperazine
CID 120770978
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120770889
3-(1-acetylpiperidin-4-yl)-1-[2-(3-chlorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120803200

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one (CID 120771094) is 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one is CC1CCCN1C(=O)CCN1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
The InChIKey is KNTSKZQOSCFDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-14-4-3-9-22(14)18(23)7-10-21-11-8-20-13-17(21)15-5-2-6-16(19)12-15/h2,5-6,12,14,17,20H,3-4,7-11,13H2,1H3.
What are the key properties of 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one?
3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one has a molecular weight of 335.88 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)piperazin-1-yl]-1-(2-methylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 120771094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).