3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide

C18H24N2O3 — CID 43051485

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N2O3/c21-18(19-14-7-9-20(10-8-14)15-3-4-15)6-2-13-1-5-16-17(11-13)23-12-22-16/h1,5,11,14-15H,2-4,6-10,12H2,(H,19,21)
InChIKeyCWYTUTMMFPLHBF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.09
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide (PubChem CID 43051485) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
PubChem CID43051485
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NC1CCN(C2CC2)CC1
InChIInChI=1S/C18H24N2O3/c21-18(19-14-7-9-20(10-8-14)15-3-4-15)6-2-13-1-5-16-17(11-13)23-12-22-16/h1,5,11,14-15H,2-4,6-10,12H2,(H,19,21)
InChIKeyCWYTUTMMFPLHBF-UHFFFAOYSA-N
XLogP2.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
N-[1-[3-(1,3-benzodioxol-5-yl)propanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46456295
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
3-(1,3-benzodioxol-5-yl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 42030306
3-(1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)propanamide
CID 114549652
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
3-(1,3-benzodioxol-5-yl)-N-[(1R,3S)-3-(4-methylpiperazine-1-carbonyl)cyclopentyl]propanamide
CID 56893110
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
3-(1,3-benzodioxol-5-yl)-N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 95196204
3-(1,3-benzodioxol-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 77087086

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide (CID 43051485) is 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide is O=C(CCc1ccc2c(c1)OCO2)NC1CCN(C2CC2)CC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
The InChIKey is CWYTUTMMFPLHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18(19-14-7-9-20(10-8-14)15-3-4-15)6-2-13-1-5-16-17(11-13)23-12-22-16/h1,5,11,14-15H,2-4,6-10,12H2,(H,19,21).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(1-cyclopropylpiperidin-4-yl)propanamide is sourced from PubChem (CID 43051485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).