1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide

C15H29N3O2 — CID 75373327

IUPAC1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide
SMILESCCOCCN1CCN(C2(C(N)=O)CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-2-20-13-12-17-8-10-18(11-9-17)15(14(16)19)6-4-3-5-7-15/h2-13H2,1H3,(H2,16,19)
InChIKeyIAMGJSUJURDGPI-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.83
Rot. Bonds6

About 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide

1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide (PubChem CID 75373327) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide
PubChem CID75373327
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide
SMILESCCOCCN1CCN(C2(C(N)=O)CCCCC2)CC1
InChIInChI=1S/C15H29N3O2/c1-2-20-13-12-17-8-10-18(11-9-17)15(14(16)19)6-4-3-5-7-15/h2-13H2,1H3,(H2,16,19)
InChIKeyIAMGJSUJURDGPI-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide (CID 75373327) is 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide is CCOCCN1CCN(C2(C(N)=O)CCCCC2)CC1.
What is the InChIKey of 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide?
The InChIKey is IAMGJSUJURDGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-2-20-13-12-17-8-10-18(11-9-17)15(14(16)19)6-4-3-5-7-15/h2-13H2,1H3,(H2,16,19).
What are the key properties of 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide?
1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyethyl)piperazin-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 75373327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).