N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide

C15H20N2O3 — CID 43523228

IUPACN-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C15H20N2O3/c1-10(11-4-6-16-7-5-11)17-15(18)12-2-3-13-14(8-12)20-9-19-13/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyRHOCIIOUSTWZCA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.53
Rot. Bonds3

About N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide

N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 43523228) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID43523228
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)OCO2)C1CCNCC1
InChIInChI=1S/C15H20N2O3/c1-10(11-4-6-16-7-5-11)17-15(18)12-2-3-13-14(8-12)20-9-19-13/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyRHOCIIOUSTWZCA-UHFFFAOYSA-N
XLogP1.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135
N-(1-piperidin-4-ylethyl)naphthalene-2-carboxamide
CID 43523229
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201392
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
3,4-difluoro-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 113360884
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
N-(4-aminopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113376829
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 39854513

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide (CID 43523228) is N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)OCO2)C1CCNCC1.
What is the InChIKey of N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RHOCIIOUSTWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(11-4-6-16-7-5-11)17-15(18)12-2-3-13-14(8-12)20-9-19-13/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 43523228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).