2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone

C16H22N2O2 — CID 128591604

IUPAC2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone
SMILESCC1(C)CN(C(=O)C(O)C2CCC2)C1c1cccnc1
InChIInChI=1S/C16H22N2O2/c1-16(2)10-18(14(16)12-7-4-8-17-9-12)15(20)13(19)11-5-3-6-11/h4,7-9,11,13-14,19H,3,5-6,10H2,1-2H3
InChIKeyQWNQNZSIVSHMAR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.15
Rot. Bonds3

About 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone

2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone (PubChem CID 128591604) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone
PubChem CID128591604
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone
SMILESCC1(C)CN(C(=O)C(O)C2CCC2)C1c1cccnc1
InChIInChI=1S/C16H22N2O2/c1-16(2)10-18(14(16)12-7-4-8-17-9-12)15(20)13(19)11-5-3-6-11/h4,7-9,11,13-14,19H,3,5-6,10H2,1-2H3
InChIKeyQWNQNZSIVSHMAR-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(1R,2R)-2-methylsulfonylcyclohexyl]-2-pyridin-3-ylazetidine-1-carboxamide
CID 136582189
4-[[(3,3-dimethyl-2-pyridin-3-ylazetidine-1-carbonyl)amino]methyl]benzoic acid
CID 122020132
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-furo[3,2-c]pyridin-4-ylmethanone
CID 136552856
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268676
(2-pyridin-3-ylpyrrolidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 136529691
3-(1,3,3-trimethylpyrrolidin-2-yl)pyridine
CID 13292849
2,3-dihydroxybutanedioic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 6708476
2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
(2R)-2-cyclohexyl-2-hydroxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 91836246
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone?
The IUPAC name of 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone (CID 128591604) is 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone is CC1(C)CN(C(=O)C(O)C2CCC2)C1c1cccnc1.
What is the InChIKey of 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone?
The InChIKey is QWNQNZSIVSHMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2)10-18(14(16)12-7-4-8-17-9-12)15(20)13(19)11-5-3-6-11/h4,7-9,11,13-14,19H,3,5-6,10H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone?
2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone has a molecular weight of 274.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 128591604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).