(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone

C22H27N5O2 — CID 109053532

IUPAC(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1
InChIInChI=1S/C22H27N5O2/c1-24-9-11-26(12-10-24)21(28)18-5-4-6-19(17-18)22(29)27-15-13-25(14-16-27)20-7-2-3-8-23-20/h2-8,17H,9-16H2,1H3
InChIKeySREJLCZSBCERSB-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.43
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone

(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone (PubChem CID 109053532) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
PubChem CID109053532
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1
InChIInChI=1S/C22H27N5O2/c1-24-9-11-26(12-10-24)21(28)18-5-4-6-19(17-18)22(29)27-15-13-25(14-16-27)20-7-2-3-8-23-20/h2-8,17H,9-16H2,1H3
InChIKeySREJLCZSBCERSB-UHFFFAOYSA-N
XLogP1.43
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone 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-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
N-cyclopropyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050733
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3-thiazol-2-yl)phenyl]methanone
CID 110372125
(3,5-ditert-butyl-4-hydroxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 112768640
(3-pyrazolidin-4-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 133108023
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 141181908
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109050927
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone (CID 109053532) is (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone is CN1CCN(C(=O)c2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone?
The InChIKey is SREJLCZSBCERSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-24-9-11-26(12-10-24)21(28)18-5-4-6-19(17-18)22(29)27-15-13-25(14-16-27)20-7-2-3-8-23-20/h2-8,17H,9-16H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone has a molecular weight of 393.49 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 109053532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).