6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide

C13H21N3O — CID 67815525

IUPAC6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1C=CC=CC1(C(N)=O)N1CCNCC1
InChIInChI=1S/C13H21N3O/c1-2-11-5-3-4-6-13(11,12(14)17)16-9-7-15-8-10-16/h3-6,11,15H,2,7-10H2,1H3,(H2,14,17)
InChIKeyYGDCVGIYZDKGIE-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.27
Rot. Bonds3

About 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide

6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 67815525) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide
PubChem CID67815525
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide
SMILESCCC1C=CC=CC1(C(N)=O)N1CCNCC1
InChIInChI=1S/C13H21N3O/c1-2-11-5-3-4-6-13(11,12(14)17)16-9-7-15-8-10-16/h3-6,11,15H,2,7-10H2,1H3,(H2,14,17)
InChIKeyYGDCVGIYZDKGIE-UHFFFAOYSA-N
XLogP0.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide (CID 67815525) is 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide is CCC1C=CC=CC1(C(N)=O)N1CCNCC1.
What is the InChIKey of 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YGDCVGIYZDKGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11-5-3-4-6-13(11,12(14)17)16-9-7-15-8-10-16/h3-6,11,15H,2,7-10H2,1H3,(H2,14,17).
What are the key properties of 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide?
6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-piperazin-1-ylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 67815525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).