(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

C16H25N5O — CID 109302257

IUPAC(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCCN(c2nccc(C(=O)N3CCN(C)CC3)n2)C1
InChIInChI=1S/C16H25N5O/c1-13-4-3-7-21(12-13)16-17-6-5-14(18-16)15(22)20-10-8-19(2)9-11-20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyCXSQNWLZTVXGET-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.10
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone

(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (PubChem CID 109302257) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
PubChem CID109302257
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
SMILESCC1CCCN(c2nccc(C(=O)N3CCN(C)CC3)n2)C1
InChIInChI=1S/C16H25N5O/c1-13-4-3-7-21(12-13)16-17-6-5-14(18-16)15(22)20-10-8-19(2)9-11-20/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyCXSQNWLZTVXGET-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone with MolForge

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Related Compounds

[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310659
ethyl 4-[2-(3-methylpiperidin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109310285
(4-benzylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109309444
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109310002
[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325914
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
N-tert-butyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109311314
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109310408

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone (CID 109302257) is (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is CC1CCCN(c2nccc(C(=O)N3CCN(C)CC3)n2)C1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
The InChIKey is CXSQNWLZTVXGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-4-3-7-21(12-13)16-17-6-5-14(18-16)15(22)20-10-8-19(2)9-11-20/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone?
(4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109302257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).