cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

C15H21N3O2 — CID 110268996

IUPACcyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCCC1c1cc(CO)ncn1
InChIInChI=1S/C15H21N3O2/c19-9-12-8-13(17-10-16-12)14-6-1-2-7-18(14)15(20)11-4-3-5-11/h8,10-11,14,19H,1-7,9H2
InChIKeyZREBWTNCLQHCPD-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.82
Rot. Bonds3

About cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone

cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110268996) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110268996
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namecyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCCCC1c1cc(CO)ncn1
InChIInChI=1S/C15H21N3O2/c19-9-12-8-13(17-10-16-12)14-6-1-2-7-18(14)15(20)11-4-3-5-11/h8,10-11,14,19H,1-7,9H2
InChIKeyZREBWTNCLQHCPD-UHFFFAOYSA-N
XLogP1.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 125020922
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
cyclodecyl-[(2S)-2-(5-cyclodecyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 139317400

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110268996) is cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCCCC1c1cc(CO)ncn1.
What is the InChIKey of cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is ZREBWTNCLQHCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-9-12-8-13(17-10-16-12)14-6-1-2-7-18(14)15(20)11-4-3-5-11/h8,10-11,14,19H,1-7,9H2.
What are the key properties of cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone?
cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110268996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).