N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide

C16H22N2O3 — CID 43151261

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H22N2O3/c19-16(11-12-4-1-2-7-17-12)18-13-5-6-14-15(10-13)21-9-3-8-20-14/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19)
InChIKeyOMEUVKRXTRWZDX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.32
Rot. Bonds3

About N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide (PubChem CID 43151261) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
PubChem CID43151261
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide
SMILESO=C(CC1CCCCN1)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C16H22N2O3/c19-16(11-12-4-1-2-7-17-12)18-13-5-6-14-15(10-13)21-9-3-8-20-14/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19)
InChIKeyOMEUVKRXTRWZDX-UHFFFAOYSA-N
XLogP2.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
2-cyclopentyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 47097716
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61371585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide
CID 24708049
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-2-ylethanone
CID 79536264
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60841575
N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267
N-(1,3-benzodioxol-5-yl)-2-cyclohexylacetamide
CID 1072428
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide (CID 43151261) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide is O=C(CC1CCCCN1)Nc1ccc2c(c1)OCCCO2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide?
The InChIKey is OMEUVKRXTRWZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(11-12-4-1-2-7-17-12)18-13-5-6-14-15(10-13)21-9-3-8-20-14/h5-6,10,12,17H,1-4,7-9,11H2,(H,18,19).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide has a molecular weight of 290.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-piperidin-2-ylacetamide is sourced from PubChem (CID 43151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).