1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide

C18H23BrN2O3 — CID 55916384

IUPAC1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3c(cc2Br)OCCO3)CC1
InChIInChI=1S/C18H23BrN2O3/c19-15-10-17-16(23-7-8-24-17)9-13(15)11-21-5-3-12(4-6-21)18(22)20-14-1-2-14/h9-10,12,14H,1-8,11H2,(H,20,22)
InChIKeyILAHAVNQLYAMBP-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.71
Rot. Bonds4

About 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide

1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55916384) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55916384
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC Name1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3c(cc2Br)OCCO3)CC1
InChIInChI=1S/C18H23BrN2O3/c19-15-10-17-16(23-7-8-24-17)9-13(15)11-21-5-3-12(4-6-21)18(22)20-14-1-2-14/h9-10,12,14H,1-8,11H2,(H,20,22)
InChIKeyILAHAVNQLYAMBP-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxamide
CID 51093978
(3R)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine-3-carboxamide
CID 94162915
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906773
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 55406857
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 51129252
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpiperidin-4-ol
CID 114681498
N-[(3R)-1-[(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-2-methylpropanamide
CID 97259775
N-[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46444939
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 30137317
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927627

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide (CID 55916384) is 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(Cc2cc3c(cc2Br)OCCO3)CC1.
What is the InChIKey of 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ILAHAVNQLYAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c19-15-10-17-16(23-7-8-24-17)9-13(15)11-21-5-3-12(4-6-21)18(22)20-14-1-2-14/h9-10,12,14H,1-8,11H2,(H,20,22).
What are the key properties of 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55916384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).