4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one

C21H30N2O3 — CID 121155818

IUPAC4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)CCC3CCCCC3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C21H30N2O3/c1-15-11-18(12-21(25)23(15)17-8-9-17)26-19-13-22(14-19)20(24)10-7-16-5-3-2-4-6-16/h11-12,16-17,19H,2-10,13-14H2,1H3
InChIKeyKJRJKCYQTXXPQY-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.44
Rot. Bonds6

About 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one

4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one (PubChem CID 121155818) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
PubChem CID121155818
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)CCC3CCCCC3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C21H30N2O3/c1-15-11-18(12-21(25)23(15)17-8-9-17)26-19-13-22(14-19)20(24)10-7-16-5-3-2-4-6-16/h11-12,16-17,19H,2-10,13-14H2,1H3
InChIKeyKJRJKCYQTXXPQY-UHFFFAOYSA-N
XLogP3.44
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155937
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814878
1-cyclopropyl-6-methyl-4-[1-(2-pyridin-3-ylacetyl)azetidin-3-yl]oxypyridin-2-one
CID 91814917
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121156082
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The IUPAC name of 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one (CID 121155818) is 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one.
What is the SMILES notation for 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The canonical SMILES for 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one is Cc1cc(OC2CN(C(=O)CCC3CCCCC3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
The InChIKey is KJRJKCYQTXXPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15-11-18(12-21(25)23(15)17-8-9-17)26-19-13-22(14-19)20(24)10-7-16-5-3-2-4-6-16/h11-12,16-17,19H,2-10,13-14H2,1H3.
What are the key properties of 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one?
4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one has a molecular weight of 358.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one is sourced from PubChem (CID 121155818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).