[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone

C21H26N4O — CID 42670319

IUPAC[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ncc(C(=O)N3CCCC3)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H26N4O/c1-16-7-9-17(10-8-16)19-22-15-18(21(26)25-13-5-6-14-25)20(23-19)24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyGNBSQQUCTHACHK-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.68
Rot. Bonds3

About [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone

[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42670319) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42670319
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(-c2ncc(C(=O)N3CCCC3)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C21H26N4O/c1-16-7-9-17(10-8-16)19-22-15-18(21(26)25-13-5-6-14-25)20(23-19)24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyGNBSQQUCTHACHK-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone (CID 42670319) is [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(-c2ncc(C(=O)N3CCCC3)c(N3CCCCC3)n2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GNBSQQUCTHACHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-7-9-17(10-8-16)19-22-15-18(21(26)25-13-5-6-14-25)20(23-19)24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone?
[2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 350.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-4-piperidin-1-ylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42670319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).