3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C20H32N4O2 — CID 126942030

IUPAC3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCCN(C)C3)CC2)cn1
InChIInChI=1S/C20H32N4O2/c1-15(2)18-11-19(25)24(14-21-18)12-16-6-9-23(10-7-16)20(26)17-5-4-8-22(3)13-17/h11,14-17H,4-10,12-13H2,1-3H3
InChIKeyRFEUJONHBXTODG-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.95
Rot. Bonds4

About 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942030) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942030
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCCN(C)C3)CC2)cn1
InChIInChI=1S/C20H32N4O2/c1-15(2)18-11-19(25)24(14-21-18)12-16-6-9-23(10-7-16)20(26)17-5-4-8-22(3)13-17/h11,14-17H,4-10,12-13H2,1-3H3
InChIKeyRFEUJONHBXTODG-UHFFFAOYSA-N
XLogP1.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one 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 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942030) is 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)C3CCCN(C)C3)CC2)cn1.
What is the InChIKey of 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is RFEUJONHBXTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15(2)18-11-19(25)24(14-21-18)12-16-6-9-23(10-7-16)20(26)17-5-4-8-22(3)13-17/h11,14-17H,4-10,12-13H2,1-3H3.
What are the key properties of 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 360.50 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).