4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide

C15H25N3O2 — CID 70848898

IUPAC4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCOC1=C(N)CCC(C(=O)NC2CCN(C)CC2)=C1
InChIInChI=1S/C15H25N3O2/c1-3-20-14-10-11(4-5-13(14)16)15(19)17-12-6-8-18(2)9-7-12/h10,12H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyUASWVUCYHIOTEE-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.12
Rot. Bonds4

About 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide

4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 70848898) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID70848898
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCOC1=C(N)CCC(C(=O)NC2CCN(C)CC2)=C1
InChIInChI=1S/C15H25N3O2/c1-3-20-14-10-11(4-5-13(14)16)15(19)17-12-6-8-18(2)9-7-12/h10,12H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyUASWVUCYHIOTEE-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide (CID 70848898) is 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide is CCOC1=C(N)CCC(C(=O)NC2CCN(C)CC2)=C1.
What is the InChIKey of 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is UASWVUCYHIOTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-20-14-10-11(4-5-13(14)16)15(19)17-12-6-8-18(2)9-7-12/h10,12H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide?
4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-(1-methylpiperidin-4-yl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 70848898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).