1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one

C12H17N3O — CID 83888888

IUPAC1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O/c1-10(16)9-11-5-6-13-12(14-11)15-7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3
InChIKeyCTSBSQCLAPIIKM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one

1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one (PubChem CID 83888888) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
PubChem CID83888888
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one
SMILESCC(=O)Cc1ccnc(N2CCCCC2)n1
InChIInChI=1S/C12H17N3O/c1-10(16)9-11-5-6-13-12(14-11)15-7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3
InChIKeyCTSBSQCLAPIIKM-UHFFFAOYSA-N
XLogP1.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azepan-1-yl)pyrimidin-4-yl]methanol
CID 62749376
1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 138460359
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
CID 122353047
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
methyl 2-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetate
CID 142712818
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
1-(2-piperidin-1-yl-4-pyridinyl)propan-2-one
CID 83888257
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one?
The IUPAC name of 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one (CID 83888888) is 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one.
What is the SMILES notation for 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one?
The canonical SMILES for 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one is CC(=O)Cc1ccnc(N2CCCCC2)n1.
What is the InChIKey of 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one?
The InChIKey is CTSBSQCLAPIIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10(16)9-11-5-6-13-12(14-11)15-7-3-2-4-8-15/h5-6H,2-4,7-9H2,1H3.
What are the key properties of 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one?
1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylpyrimidin-4-yl)propan-2-one is sourced from PubChem (CID 83888888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).