1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide

C17H22N2O3 — CID 66726788

IUPAC1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C17H22N2O3/c18-17(20)14-7-4-8-19(11-14)16(13-5-2-1-3-6-13)15-12-21-9-10-22-15/h1-2,5,9-10,12,14,16H,3-4,6-8,11H2,(H2,18,20)
InChIKeyDHMLKKRSOUFCRD-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.19
Rot. Bonds4

About 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide

1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 66726788) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID66726788
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1
InChIInChI=1S/C17H22N2O3/c18-17(20)14-7-4-8-19(11-14)16(13-5-2-1-3-6-13)15-12-21-9-10-22-15/h1-2,5,9-10,12,14,16H,3-4,6-8,11H2,(H2,18,20)
InChIKeyDHMLKKRSOUFCRD-UHFFFAOYSA-N
XLogP2.19
TPSA64.79 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide (CID 66726788) is 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(C2=CC=CCC2)C2=COC=CO2)C1.
What is the InChIKey of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DHMLKKRSOUFCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c18-17(20)14-7-4-8-19(11-14)16(13-5-2-1-3-6-13)15-12-21-9-10-22-15/h1-2,5,9-10,12,14,16H,3-4,6-8,11H2,(H2,18,20).
What are the key properties of 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide?
1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 66726788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).