1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone

C12H17N3O — CID 63846340

IUPAC1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(C)ncn2)C1
InChIInChI=1S/C12H17N3O/c1-9-6-12(14-8-13-9)15-5-3-4-11(7-15)10(2)16/h6,8,11H,3-5,7H2,1-2H3
InChIKeyRBOOANSOJLBUHN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.59
Rot. Bonds2

About 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone

1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone (PubChem CID 63846340) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
PubChem CID63846340
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
SMILESCC(=O)C1CCCN(c2cc(C)ncn2)C1
InChIInChI=1S/C12H17N3O/c1-9-6-12(14-8-13-9)15-5-3-4-11(7-15)10(2)16/h6,8,11H,3-5,7H2,1-2H3
InChIKeyRBOOANSOJLBUHN-UHFFFAOYSA-N
XLogP1.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839552
(3S)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839551
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
cyclobutyl-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126858119
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
N-[4-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95829191
N-cycloheptyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90520777
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]ethanone
CID 63844432
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone (CID 63846340) is 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone is CC(=O)C1CCCN(c2cc(C)ncn2)C1.
What is the InChIKey of 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone?
The InChIKey is RBOOANSOJLBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-6-12(14-8-13-9)15-5-3-4-11(7-15)10(2)16/h6,8,11H,3-5,7H2,1-2H3.
What are the key properties of 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone?
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone has a molecular weight of 219.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 63846340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).