3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride

C19H30ClN3O — CID 120995506

IUPAC3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
SMILESCC(C)C(C(=O)N1CCC(N2CCNCC2)C1)c1ccccc1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-15(2)18(16-6-4-3-5-7-16)19(23)22-11-8-17(14-22)21-12-9-20-10-13-21;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H
InChIKeyQXDANLQZZTVWNH-UHFFFAOYSA-N
MW351.92 g/mol
LogP2.35
Rot. Bonds4

About 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride

3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride (PubChem CID 120995506) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
PubChem CID120995506
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
SMILESCC(C)C(C(=O)N1CCC(N2CCNCC2)C1)c1ccccc1.Cl
InChIInChI=1S/C19H29N3O.ClH/c1-15(2)18(16-6-4-3-5-7-16)19(23)22-11-8-17(14-22)21-12-9-20-10-13-21;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H
InChIKeyQXDANLQZZTVWNH-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
2-benzylsulfanyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997771
2-(4-methoxyphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120996072
4,4,4-trifluoro-3-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995820
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474
3-(2-chlorophenyl)-2-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997146
2-(2-benzylphenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120995012
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
2-fluoro-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-2-yl]benzamide
CID 120995659
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 120996972
2,2-dicyclopropyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride (CID 120995506) is 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride is CC(C)C(C(=O)N1CCC(N2CCNCC2)C1)c1ccccc1.Cl.
What is the InChIKey of 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is QXDANLQZZTVWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.ClH/c1-15(2)18(16-6-4-3-5-7-16)19(23)22-11-8-17(14-22)21-12-9-20-10-13-21;/h3-7,15,17-18,20H,8-14H2,1-2H3;1H.
What are the key properties of 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride?
3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 351.92 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 120995506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).