[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H25N7O — CID 53102146

IUPAC[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)n1
InChIInChI=1S/C19H25N7O/c1-15-3-8-22-19(23-15)25-9-4-16(5-10-25)17(27)24-11-13-26(14-12-24)18-20-6-2-7-21-18/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyPWMMJRUPMKJRSA-UHFFFAOYSA-N
MW367.46 g/mol
LogP1.14
Rot. Bonds3

About [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 53102146) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID53102146
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccnc(N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)n1
InChIInChI=1S/C19H25N7O/c1-15-3-8-22-19(23-15)25-9-4-16(5-10-25)17(27)24-11-13-26(14-12-24)18-20-6-2-7-21-18/h2-3,6-8,16H,4-5,9-14H2,1H3
InChIKeyPWMMJRUPMKJRSA-UHFFFAOYSA-N
XLogP1.14
TPSA78.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 53102146) is [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccnc(N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)n1.
What is the InChIKey of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is PWMMJRUPMKJRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-15-3-8-22-19(23-15)25-9-4-16(5-10-25)17(27)24-11-13-26(14-12-24)18-20-6-2-7-21-18/h2-3,6-8,16H,4-5,9-14H2,1H3.
What are the key properties of [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 367.46 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpyrimidin-2-yl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53102146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).