2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

C20H31N5O — CID 110241732

IUPAC2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1
InChIInChI=1S/C20H31N5O/c1-15-3-2-8-24(13-15)14-19(26)25-9-5-16(6-10-25)20-22-12-17-11-21-7-4-18(17)23-20/h12,15-16,21H,2-11,13-14H2,1H3
InChIKeyAINHRNUAIXIJHS-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.56
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 110241732) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID110241732
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESCC1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1
InChIInChI=1S/C20H31N5O/c1-15-3-2-8-24(13-15)14-19(26)25-9-5-16(6-10-25)20-22-12-17-11-21-7-4-18(17)23-20/h12,15-16,21H,2-11,13-14H2,1H3
InChIKeyAINHRNUAIXIJHS-UHFFFAOYSA-N
XLogP1.56
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone 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 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (CID 110241732) is 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is CC1CCCN(CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is AINHRNUAIXIJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-3-2-8-24(13-15)14-19(26)25-9-5-16(6-10-25)20-22-12-17-11-21-7-4-18(17)23-20/h12,15-16,21H,2-11,13-14H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 357.50 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110241732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).