N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide

C16H22N2O3 — CID 119668964

IUPACN-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c1-11(12-4-6-17-7-5-12)8-16(19)18-13-2-3-14-15(9-13)21-10-20-14/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19)
InChIKeyNZPAAYXWGALMFQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.38
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide

N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119668964) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
PubChem CID119668964
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C16H22N2O3/c1-11(12-4-6-17-7-5-12)8-16(19)18-13-2-3-14-15(9-13)21-10-20-14/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19)
InChIKeyNZPAAYXWGALMFQ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide (CID 119668964) is N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc2c(c1)OCO2)C1CCNCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is NZPAAYXWGALMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(12-4-6-17-7-5-12)8-16(19)18-13-2-3-14-15(9-13)21-10-20-14/h2-3,9,11-12,17H,4-8,10H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide?
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide has a molecular weight of 290.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119668964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).