6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C20H30N4O2 — CID 126941560

IUPAC6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCCC(C(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-22-8-2-3-17(13-22)20(26)23-9-6-15(7-10-23)12-24-14-21-18(11-19(24)25)16-4-5-16/h11,14-17H,2-10,12-13H2,1H3
InChIKeyRTQNRRLSXBUWEP-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.70
Rot. Bonds4

About 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941560) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941560
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCCC(C(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)C1
InChIInChI=1S/C20H30N4O2/c1-22-8-2-3-17(13-22)20(26)23-9-6-15(7-10-23)12-24-14-21-18(11-19(24)25)16-4-5-16/h11,14-17H,2-10,12-13H2,1H3
InChIKeyRTQNRRLSXBUWEP-UHFFFAOYSA-N
XLogP1.70
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-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 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941560) is 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is CN1CCCC(C(=O)N2CCC(Cn3cnc(C4CC4)cc3=O)CC2)C1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is RTQNRRLSXBUWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22-8-2-3-17(13-22)20(26)23-9-6-15(7-10-23)12-24-14-21-18(11-19(24)25)16-4-5-16/h11,14-17H,2-10,12-13H2,1H3.
What are the key properties of 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 358.49 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).