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

C15H21N3O — CID 110253739

IUPACcyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C15H21N3O/c1-11-16-8-7-14(17-11)13-6-3-9-18(10-13)15(19)12-4-2-5-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeySGWSJPOJMKOBBE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds2

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

cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110253739) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110253739
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Namecyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C15H21N3O/c1-11-16-8-7-14(17-11)13-6-3-9-18(10-13)15(19)12-4-2-5-12/h7-8,12-13H,2-6,9-10H2,1H3
InChIKeySGWSJPOJMKOBBE-UHFFFAOYSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
cyclohexyl-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137660
2H-benzotriazol-5-yl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110115037
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 110253739) is cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is Cc1nccc(C2CCCN(C(=O)C3CCC3)C2)n1.
What is the InChIKey of cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is SGWSJPOJMKOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-16-8-7-14(17-11)13-6-3-9-18(10-13)15(19)12-4-2-5-12/h7-8,12-13H,2-6,9-10H2,1H3.
What are the key properties of cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone?
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 259.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110253739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).