2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one

C14H21N3O — CID 110256025

IUPAC2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(Cc2ncccn2)C1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)17-8-3-5-12(10-17)9-13-15-6-4-7-16-13/h4,6-7,11-12H,3,5,8-10H2,1-2H3
InChIKeyIOWNNRXHQYXSMD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.91
Rot. Bonds3

About 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one

2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 110256025) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID110256025
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(Cc2ncccn2)C1
InChIInChI=1S/C14H21N3O/c1-11(2)14(18)17-8-3-5-12(10-17)9-13-15-6-4-7-16-13/h4,6-7,11-12H,3,5,8-10H2,1-2H3
InChIKeyIOWNNRXHQYXSMD-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(pyrimidin-2-ylmethyl)piperidine-1-carboxylate
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2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
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1-[3-[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
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N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
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2-methyl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 50976131
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one (CID 110256025) is 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC(Cc2ncccn2)C1.
What is the InChIKey of 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is IOWNNRXHQYXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(2)14(18)17-8-3-5-12(10-17)9-13-15-6-4-7-16-13/h4,6-7,11-12H,3,5,8-10H2,1-2H3.
What are the key properties of 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one?
2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).