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

C15H19NO3 — CID 116567636

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2ccc3c(c2)OCCO3)CCNCC1
InChIInChI=1S/C15H19NO3/c1-15(4-6-16-7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,16H,4-9H2,1H3
InChIKeyRVPKVOLMCFFFBZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.03
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone (PubChem CID 116567636) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
PubChem CID116567636
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone
SMILESCC1(C(=O)c2ccc3c(c2)OCCO3)CCNCC1
InChIInChI=1S/C15H19NO3/c1-15(4-6-16-7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,16H,4-9H2,1H3
InChIKeyRVPKVOLMCFFFBZ-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-azaspiro[2.5]octan-2-yl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 116573161
(3-chloro-4-methylphenyl)-(4-methylpiperidin-4-yl)methanone
CID 107561270
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63141698
2,3-dihydro-1,4-benzodioxin-6-yl-(3-propylpiperidin-3-yl)methanone
CID 116569748
2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65462739
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(methylaminomethyl)cyclopropyl]methanone
CID 116921337
(2R)-2-bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-one
CID 7353989
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
1-(21-acetyl-2,5,12,15,18-pentaoxatricyclo[17.4.0.06,11]tricosa-1(19),6(11),7,9,20,22-hexaen-8-yl)ethanone
CID 3935960
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 116608177
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 86614571

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone (CID 116567636) is 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone is CC1(C(=O)c2ccc3c(c2)OCCO3)CCNCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone?
The InChIKey is RVPKVOLMCFFFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(4-6-16-7-5-15)14(17)11-2-3-12-13(10-11)19-9-8-18-12/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-4-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 2.03, 2 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-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116567636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).