[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C23H30N4O — CID 109205119

IUPAC[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-18-7-10-27(11-8-18)23(28)22-17-21(6-9-24-22)26-14-12-25(13-15-26)20-5-3-4-19(2)16-20/h3-6,9,16-18H,7-8,10-15H2,1-2H3
InChIKeyMMYBTKBAUPOCLV-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.59
Rot. Bonds3

About [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109205119) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109205119
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1
InChIInChI=1S/C23H30N4O/c1-18-7-10-27(11-8-18)23(28)22-17-21(6-9-24-22)26-14-12-25(13-15-26)20-5-3-4-19(2)16-20/h3-6,9,16-18H,7-8,10-15H2,1-2H3
InChIKeyMMYBTKBAUPOCLV-UHFFFAOYSA-N
XLogP3.59
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)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

[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183288
[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205121
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 82188845
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
(6-methoxypyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 121167441
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109205119) is [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(N2CCN(c3ccnc(C(=O)N4CCC(C)CC4)c3)CC2)c1.
What is the InChIKey of [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MMYBTKBAUPOCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-7-10-27(11-8-18)23(28)22-17-21(6-9-24-22)26-14-12-25(13-15-26)20-5-3-4-19(2)16-20/h3-6,9,16-18H,7-8,10-15H2,1-2H3.
What are the key properties of [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109205119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).