N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide

C17H24N2O3 — CID 119740871

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc2c1OCCO2)C1CCCNC1
InChIInChI=1S/C17H24N2O3/c1-12(13-4-3-7-18-11-13)10-16(20)19-14-5-2-6-15-17(14)22-9-8-21-15/h2,5-6,12-13,18H,3-4,7-11H2,1H3,(H,19,20)
InChIKeyLNVKQHUPDCGCPE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.42
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119740871) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
PubChem CID119740871
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1cccc2c1OCCO2)C1CCCNC1
InChIInChI=1S/C17H24N2O3/c1-12(13-4-3-7-18-11-13)10-16(20)19-14-5-2-6-15-17(14)22-9-8-21-15/h2,5-6,12-13,18H,3-4,7-11H2,1H3,(H,19,20)
InChIKeyLNVKQHUPDCGCPE-UHFFFAOYSA-N
XLogP2.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2,3-dihydro-1,4-benzodioxin-5-yl)piperidine-3-carboxamide;hydrochloride
CID 119298938
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-cyclohexyl-N-methyl-2-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119741220
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide (CID 119740871) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1cccc2c1OCCO2)C1CCCNC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is LNVKQHUPDCGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(13-4-3-7-18-11-13)10-16(20)19-14-5-2-6-15-17(14)22-9-8-21-15/h2,5-6,12-13,18H,3-4,7-11H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119740871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).