2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C20H30ClN5O — CID 58826219

IUPAC2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3
InChIKeyYYYGCVREVVTDKX-UHFFFAOYSA-N
MW391.95 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 58826219) has the molecular formula C20H30ClN5O and a molecular weight of 391.95 g/mol. Its IUPAC name is 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID58826219
Molecular FormulaC20H30ClN5O
Molecular Weight391.95 g/mol
Exact Mass391.21
IUPAC Name2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESCc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3
InChIKeyYYYGCVREVVTDKX-UHFFFAOYSA-N
XLogP1.86
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 58826219) is 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is Cc1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is YYYGCVREVVTDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5O/c1-16-13-18(21)20(22-14-16)26-7-5-23(6-8-26)15-19(27)25-11-9-24(10-12-25)17-3-2-4-17/h13-14,17H,2-12,15H2,1H3.
What are the key properties of 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 391.95 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-5-methyl-2-pyridinyl)piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58826219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).