2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide

C18H24N2O3 — CID 119464046

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCNC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O3/c21-18(20-11-12-2-1-5-19-10-12)15-9-14(15)13-3-4-16-17(8-13)23-7-6-22-16/h3-4,8,12,14-15,19H,1-2,5-7,9-11H2,(H,20,21)
InChIKeyRLTZLRAUUCVBSC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.68
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 119464046) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID119464046
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC1CCCNC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O3/c21-18(20-11-12-2-1-5-19-10-12)15-9-14(15)13-3-4-16-17(8-13)23-7-6-22-16/h3-4,8,12,14-15,19H,1-2,5-7,9-11H2,(H,20,21)
InChIKeyRLTZLRAUUCVBSC-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide 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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119537596
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119537595
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119453757
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448722
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119461163
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
7-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227407

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide (CID 119464046) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCC1CCCNC1)C1CC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is RLTZLRAUUCVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18(20-11-12-2-1-5-19-10-12)15-9-14(15)13-3-4-16-17(8-13)23-7-6-22-16/h3-4,8,12,14-15,19H,1-2,5-7,9-11H2,(H,20,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119464046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).