(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C17H26N4O — CID 109342388

IUPAC(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2cc(N3CCCC(C)C3)ncn2)CC1
InChIInChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17(22)15-10-16(19-12-18-15)21-7-3-4-14(2)11-21/h10,12-14H,3-9,11H2,1-2H3
InChIKeyQTWFVPUOEFQIPM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.59
Rot. Bonds2

About (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109342388) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109342388
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCN(C(=O)c2cc(N3CCCC(C)C3)ncn2)CC1
InChIInChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17(22)15-10-16(19-12-18-15)21-7-3-4-14(2)11-21/h10,12-14H,3-9,11H2,1-2H3
InChIKeyQTWFVPUOEFQIPM-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
furan-2-yl-[4-[6-(3-methylpiperidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 109353067
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
[2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 75538840
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355141
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342192

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 109342388) is (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCN(C(=O)c2cc(N3CCCC(C)C3)ncn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is QTWFVPUOEFQIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-5-8-20(9-6-13)17(22)15-10-16(19-12-18-15)21-7-3-4-14(2)11-21/h10,12-14H,3-9,11H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109342388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).