1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide

C18H26N2O3 — CID 2838550

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H26N2O3/c1-3-20(4-2)18(21)15-6-5-9-19(12-15)11-14-7-8-16-17(10-14)23-13-22-16/h7-8,10,15H,3-6,9,11-13H2,1-2H3
InChIKeyTWINAQGAIHIRHU-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.50
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838550) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838550
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C18H26N2O3/c1-3-20(4-2)18(21)15-6-5-9-19(12-15)11-14-7-8-16-17(10-14)23-13-22-16/h7-8,10,15H,3-6,9,11-13H2,1-2H3
InChIKeyTWINAQGAIHIRHU-UHFFFAOYSA-N
XLogP2.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide (CID 2838550) is 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is TWINAQGAIHIRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-20(4-2)18(21)15-6-5-9-19(12-15)11-14-7-8-16-17(10-14)23-13-22-16/h7-8,10,15H,3-6,9,11-13H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).