2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone

C17H23NO3 — CID 116569748

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc3c(c2)OCCO3)CCCNC1
InChIInChI=1S/C17H23NO3/c1-2-6-17(7-3-8-18-12-17)16(19)13-4-5-14-15(11-13)21-10-9-20-14/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyKVJASEAQVOQBLX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.81
Rot. Bonds4

About 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone

2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569748) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
PubChem CID116569748
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)c2ccc3c(c2)OCCO3)CCCNC1
InChIInChI=1S/C17H23NO3/c1-2-6-17(7-3-8-18-12-17)16(19)13-4-5-14-15(11-13)21-10-9-20-14/h4-5,11,18H,2-3,6-10,12H2,1H3
InChIKeyKVJASEAQVOQBLX-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
1-benzofuran-2-yl-(3-propylpiperidin-3-yl)methanone
CID 114736555
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
CID 116567636
(4-cyclobutylphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570705
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921337
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
(5-propan-2-yloxy-3-pyridinyl)-(3-propylpiperidin-3-yl)methanone
CID 116569701
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone (CID 116569748) is 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)c2ccc3c(c2)OCCO3)CCCNC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone?
The InChIKey is KVJASEAQVOQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-6-17(7-3-8-18-12-17)16(19)13-4-5-14-15(11-13)21-10-9-20-14/h4-5,11,18H,2-3,6-10,12H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).