N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H22N2O3 — CID 60894986

IUPACN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c19-16(18-9-7-12-4-3-8-17-10-12)15-11-20-13-5-1-2-6-14(13)21-15/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19)
InChIKeyCELAIWIFAMNAPD-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 60894986) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID60894986
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)C1COc2ccccc2O1
InChIInChI=1S/C16H22N2O3/c19-16(18-9-7-12-4-3-8-17-10-12)15-11-20-13-5-1-2-6-14(13)21-15/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19)
InChIKeyCELAIWIFAMNAPD-UHFFFAOYSA-N
XLogP1.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62664381
N-[(4-methylpiperidin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114955639
N-(2-piperidin-3-ylethyl)-1,4-dioxane-2-carboxamide
CID 62799919
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
(3S)-N-(2-cycloheptyloxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 129380053
N-(3-aminopropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide;hydrochloride
CID 119407559
N-(6-hydroxyhexyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 108808787
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 113274368
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine-3-carboxamide
CID 61249148
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
N-[3-(2-piperidin-3-ylethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119556997

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 60894986) is N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NCCC1CCCNC1)C1COc2ccccc2O1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is CELAIWIFAMNAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(18-9-7-12-4-3-8-17-10-12)15-11-20-13-5-1-2-6-14(13)21-15/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19).
What are the key properties of N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 60894986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).