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

C13H19N3O — CID 79539105

IUPAC1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1ncccn1
InChIInChI=1S/C13H19N3O/c1-11(17)9-12-5-2-3-8-16(12)10-13-14-6-4-7-15-13/h4,6-7,12H,2-3,5,8-10H2,1H3
InChIKeyYZNIILQDEHTMHJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds4

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

1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one (PubChem CID 79539105) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
PubChem CID79539105
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1Cc1ncccn1
InChIInChI=1S/C13H19N3O/c1-11(17)9-12-5-2-3-8-16(12)10-13-14-6-4-7-15-13/h4,6-7,12H,2-3,5,8-10H2,1H3
InChIKeyYZNIILQDEHTMHJ-UHFFFAOYSA-N
XLogP1.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623
1-[1-(quinolin-4-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546140
1-[1-(quinolin-2-ylmethyl)piperidin-2-yl]propan-2-one
CID 79538611
1-[1-[(1-methyltriazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 107043029
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79539306
1-[1-[(3-ethylimidazol-4-yl)methyl]piperidin-2-yl]propan-2-one
CID 79537003
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]azepan-2-yl]propan-2-one
CID 79559770
1-[1-[(3,4-dimethylphenyl)methyl]azepan-2-yl]propan-2-one
CID 79560534
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]propan-2-one
CID 79535895
1-[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79546734
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one (CID 79539105) is 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1Cc1ncccn1.
What is the InChIKey of 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one?
The InChIKey is YZNIILQDEHTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(17)9-12-5-2-3-8-16(12)10-13-14-6-4-7-15-13/h4,6-7,12H,2-3,5,8-10H2,1H3.
What are the key properties of 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one?
1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyrimidin-2-ylmethyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79539105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).