2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide

C17H22N2O3 — CID 16668006

IUPAC2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)NC1CC1
InChIInChI=1S/C17H22N2O3/c20-17(18-14-2-3-14)10-19-7-5-12(6-8-19)13-1-4-15-16(9-13)22-11-21-15/h1,4,9,12,14H,2-3,5-8,10-11H2,(H,18,20)
InChIKeyDHQRLTYKYQZPDW-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.87
Rot. Bonds4

About 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide

2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide (PubChem CID 16668006) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
PubChem CID16668006
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)NC1CC1
InChIInChI=1S/C17H22N2O3/c20-17(18-14-2-3-14)10-19-7-5-12(6-8-19)13-1-4-15-16(9-13)22-11-21-15/h1,4,9,12,14H,2-3,5-8,10-11H2,(H,18,20)
InChIKeyDHQRLTYKYQZPDW-UHFFFAOYSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propanoic acid
CID 94700040
1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 162332016
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
2-[4-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30739132
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
N-cycloheptyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138386265
N-(1,3-benzodioxol-5-yl)-2-[4-[(3,5-dimethylphenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 3220948
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
2-[4-[[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]amino]piperidin-1-yl]acetamide
CID 51084112
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanopiperidin-1-yl)acetamide
CID 171701277
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[4-(4-hydroxyphenyl)piperidin-1-yl]acetamide
CID 17492131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide (CID 16668006) is 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)NC1CC1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is DHQRLTYKYQZPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-17(18-14-2-3-14)10-19-7-5-12(6-8-19)13-1-4-15-16(9-13)22-11-21-15/h1,4,9,12,14H,2-3,5-8,10-11H2,(H,18,20).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide?
2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 302.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 16668006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).