4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one

C15H23N3O — CID 120729213

IUPAC4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c1-12(2)5-6-15(19)18-9-8-17-11-14(18)13-4-3-7-16-10-13/h3-4,7,10,12,14,17H,5-6,8-9,11H2,1-2H3
InChIKeyLEPACLRCWAUIEH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.99
Rot. Bonds4

About 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one

4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one (PubChem CID 120729213) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
PubChem CID120729213
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H23N3O/c1-12(2)5-6-15(19)18-9-8-17-11-14(18)13-4-3-7-16-10-13/h3-4,7,10,12,14,17H,5-6,8-9,11H2,1-2H3
InChIKeyLEPACLRCWAUIEH-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one 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-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
3-(4-methylpentan-2-yloxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120730863
2-propan-2-ylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730025
1-[4-(2-methylpropyl)phenyl]-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 120731023
3-(4-fluorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120732515
3-phenyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731691
2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
2-[[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]sulfonylamino]-N-propan-2-ylacetamide
CID 120731406
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one (CID 120729213) is 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one is CC(C)CCC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is LEPACLRCWAUIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)5-6-15(19)18-9-8-17-11-14(18)13-4-3-7-16-10-13/h3-4,7,10,12,14,17H,5-6,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one?
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 120729213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).