N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H22N2O3 — CID 60902424

IUPACN-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCCC1CCNCC1)c1cccc2c1OCCO2
InChIInChI=1S/C16H22N2O3/c19-16(18-9-6-12-4-7-17-8-5-12)13-2-1-3-14-15(13)21-11-10-20-14/h1-3,12,17H,4-11H2,(H,18,19)
InChIKeyHTCUJNCTQJGMSJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.58
Rot. Bonds4

About N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 60902424) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID60902424
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NCCC1CCNCC1)c1cccc2c1OCCO2
InChIInChI=1S/C16H22N2O3/c19-16(18-9-6-12-4-7-17-8-5-12)13-2-1-3-14-15(13)21-11-10-20-14/h1-3,12,17H,4-11H2,(H,18,19)
InChIKeyHTCUJNCTQJGMSJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71645408
N-[2-(cyclopropylmethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 67449687
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 55100680
N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide;hydrochloride
CID 119391345
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
2,3-dihydro-1,4-benzodioxin-5-yl(piperidin-4-yl)methanone
CID 90477242
2-fluoro-3-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 81479636
N-[2-(2-methylpropanoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 68725763
N-[3-(methylamino)propyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 43614601
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52772937
N-(6-iodohexyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 107848624
N-[(3-hydroxycyclobutyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 66004684

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 60902424) is N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NCCC1CCNCC1)c1cccc2c1OCCO2.
What is the InChIKey of N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is HTCUJNCTQJGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(18-9-6-12-4-7-17-8-5-12)13-2-1-3-14-15(13)21-11-10-20-14/h1-3,12,17H,4-11H2,(H,18,19).
What are the key properties of N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 60902424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).