1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone

C17H26N4O — CID 95825544

IUPAC1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(C)cc(N3CCCC(C)(C)C3)n2)C1
InChIInChI=1S/C17H26N4O/c1-12-8-15(20-7-5-6-17(3,4)11-20)19-16(18-12)14-9-21(10-14)13(2)22/h8,14H,5-7,9-11H2,1-4H3
InChIKeyMHBJPZITGVGPAM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.36
Rot. Bonds2

About 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone

1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone (PubChem CID 95825544) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
PubChem CID95825544
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(c2nc(C)cc(N3CCCC(C)(C)C3)n2)C1
InChIInChI=1S/C17H26N4O/c1-12-8-15(20-7-5-6-17(3,4)11-20)19-16(18-12)14-9-21(10-14)13(2)22/h8,14H,5-7,9-11H2,1-4H3
InChIKeyMHBJPZITGVGPAM-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 40829090
[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
1-[4-(4-imidazol-1-yl-6-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 95820895
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
1-[6-hydroxy-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 70713868
1-[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-methylpyrimidin-4-yl]azetidine-3-carboxylic acid
CID 95825399
3-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-1-carboxylic acid
CID 91368528
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 92553657

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone (CID 95825544) is 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(c2nc(C)cc(N3CCCC(C)(C)C3)n2)C1.
What is the InChIKey of 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone?
The InChIKey is MHBJPZITGVGPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-8-15(20-7-5-6-17(3,4)11-20)19-16(18-12)14-9-21(10-14)13(2)22/h8,14H,5-7,9-11H2,1-4H3.
What are the key properties of 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone?
1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 95825544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).