N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide

C16H22N2O3 — CID 62211455

IUPACN-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1cccc2c1OCO2
InChIInChI=1S/C16H22N2O3/c19-15(5-4-12-6-8-17-9-7-12)18-10-13-2-1-3-14-16(13)21-11-20-14/h1-3,12,17H,4-11H2,(H,18,19)
InChIKeyLRKGUEIXPHHKFL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.81
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide

N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide (PubChem CID 62211455) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
PubChem CID62211455
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1cccc2c1OCO2
InChIInChI=1S/C16H22N2O3/c19-15(5-4-12-6-8-17-9-7-12)18-10-13-2-1-3-14-16(13)21-11-20-14/h1-3,12,17H,4-11H2,(H,18,19)
InChIKeyLRKGUEIXPHHKFL-UHFFFAOYSA-N
XLogP1.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 119740842
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42595602
N-(1,3-benzodioxol-4-ylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428687
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119298906

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide (CID 62211455) is N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide?
The InChIKey is LRKGUEIXPHHKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(5-4-12-6-8-17-9-7-12)18-10-13-2-1-3-14-16(13)21-11-20-14/h1-3,12,17H,4-11H2,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide?
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).