4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C15H25N3O — CID 70314835

IUPAC4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCCC1C=CC(C(=O)NCCN2CCNCC2)=CC1
InChIInChI=1S/C15H25N3O/c1-2-13-3-5-14(6-4-13)15(19)17-9-12-18-10-7-16-8-11-18/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,17,19)
InChIKeyWPEYEOMQLYUIRN-UHFFFAOYSA-N
MW263.38 g/mol
LogP0.92
Rot. Bonds5

About 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide

4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 70314835) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID70314835
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCCC1C=CC(C(=O)NCCN2CCNCC2)=CC1
InChIInChI=1S/C15H25N3O/c1-2-13-3-5-14(6-4-13)15(19)17-9-12-18-10-7-16-8-11-18/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,17,19)
InChIKeyWPEYEOMQLYUIRN-UHFFFAOYSA-N
XLogP0.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 70314835) is 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide is CCC1C=CC(C(=O)NCCN2CCNCC2)=CC1.
What is the InChIKey of 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is WPEYEOMQLYUIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-13-3-5-14(6-4-13)15(19)17-9-12-18-10-7-16-8-11-18/h3,5-6,13,16H,2,4,7-12H2,1H3,(H,17,19).
What are the key properties of 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-piperazin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 70314835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).