3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one

C14H24N2O2 — CID 167894823

IUPAC3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCCC(N2CC(O)(C3CC3)C2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-7-3-4-12(13(16)17)15-8-14(18,9-15)11-5-6-11/h10-12,18H,3-9H2,1-2H3
InChIKeyILJUASNJXJSKAF-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds3

About 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one

3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one (PubChem CID 167894823) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
PubChem CID167894823
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCCC(N2CC(O)(C3CC3)C2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-7-3-4-12(13(16)17)15-8-14(18,9-15)11-5-6-11/h10-12,18H,3-9H2,1-2H3
InChIKeyILJUASNJXJSKAF-UHFFFAOYSA-N
XLogP0.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120775440
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 119919554
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120772686
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
tert-butyl 1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperidine-4-carboxylate
CID 97220887
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
3-(7-hydroxy-5-azaspiro[2.4]heptan-5-yl)-1-propan-2-ylpyrrolidin-2-one
CID 127941636
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 154754850
(3R)-3-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97342786

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one (CID 167894823) is 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one is CC(C)N1CCCC(N2CC(O)(C3CC3)C2)C1=O.
What is the InChIKey of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one?
The InChIKey is ILJUASNJXJSKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-7-3-4-12(13(16)17)15-8-14(18,9-15)11-5-6-11/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one?
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 167894823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).