[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

C17H26N4O — CID 109322434

IUPAC[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-6-10-21(11-7-13)17-18-14(2)12-15(19-17)16(22)20-8-4-3-5-9-20/h12-13H,3-11H2,1-2H3
InChIKeyCGXRPKNQHQSKAB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.65
Rot. Bonds2

About [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109322434) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109322434
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc(N2CCC(C)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-6-10-21(11-7-13)17-18-14(2)12-15(19-17)16(22)20-8-4-3-5-9-20/h12-13H,3-11H2,1-2H3
InChIKeyCGXRPKNQHQSKAB-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
azepan-1-yl-[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109332175
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323148
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92613530
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109324420
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323127
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyrimidine
CID 78845238
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109331556
[6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109332039
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
[2-(diethylamino)-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323152

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109322434) is [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)nc(N2CCC(C)CC2)n1.
What is the InChIKey of [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CGXRPKNQHQSKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-6-10-21(11-7-13)17-18-14(2)12-15(19-17)16(22)20-8-4-3-5-9-20/h12-13H,3-11H2,1-2H3.
What are the key properties of [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109322434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).