2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide

C12H18N4O — CID 110250261

IUPAC2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCc1nccc(C2CCCN(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-9-14-5-4-11(15-9)10-3-2-6-16(7-10)8-12(13)17/h4-5,10H,2-3,6-8H2,1H3,(H2,13,17)
InChIKeyKGRJNGBFLRDFHP-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.45
Rot. Bonds3

About 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide

2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide (PubChem CID 110250261) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
PubChem CID110250261
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
SMILESCc1nccc(C2CCCN(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-9-14-5-4-11(15-9)10-3-2-6-16(7-10)8-12(13)17/h4-5,10H,2-3,6-8H2,1H3,(H2,13,17)
InChIKeyKGRJNGBFLRDFHP-UHFFFAOYSA-N
XLogP0.45
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
2-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258537
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
2-[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110258535
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
CID 110114983

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide (CID 110250261) is 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide is Cc1nccc(C2CCCN(CC(N)=O)C2)n1.
What is the InChIKey of 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide?
The InChIKey is KGRJNGBFLRDFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-14-5-4-11(15-9)10-3-2-6-16(7-10)8-12(13)17/h4-5,10H,2-3,6-8H2,1H3,(H2,13,17).
What are the key properties of 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide?
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 110250261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).