[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone

C19H24N2O4 — CID 90512712

IUPAC[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H24N2O4/c1-12-4-3-5-13(2)21(12)19(23)15-9-20(10-15)18(22)14-6-7-16-17(8-14)25-11-24-16/h6-8,12-13,15H,3-5,9-11H2,1-2H3
InChIKeyBEIZSWSWJPLCGX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.28
Rot. Bonds2

About [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone

[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 90512712) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID90512712
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C19H24N2O4/c1-12-4-3-5-13(2)21(12)19(23)15-9-20(10-15)18(22)14-6-7-16-17(8-14)25-11-24-16/h6-8,12-13,15H,3-5,9-11H2,1-2H3
InChIKeyBEIZSWSWJPLCGX-UHFFFAOYSA-N
XLogP2.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-(4-methylazepan-1-yl)methanone
CID 84582371
1-(1,3-benzodioxole-5-carbonyl)-N-(cyclohexylmethyl)azetidine-3-carboxamide
CID 90512909
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 90512916
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119278638
2-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120549237
1,3-benzodioxol-5-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124961819
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 90512722
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone (CID 90512712) is [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is BEIZSWSWJPLCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12-4-3-5-13(2)21(12)19(23)15-9-20(10-15)18(22)14-6-7-16-17(8-14)25-11-24-16/h6-8,12-13,15H,3-5,9-11H2,1-2H3.
What are the key properties of [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone?
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 90512712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).