4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide

C17H27N3O3 — CID 109144861

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-8-18-16(22)14-4-6-15(7-5-14)17(23)20-11-9-19(10-12-20)13(2)21/h3,14-15H,1,4-12H2,2H3,(H,18,22)
InChIKeyQLLQBZDKMYOGLH-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.79
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide (PubChem CID 109144861) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
PubChem CID109144861
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C17H27N3O3/c1-3-8-18-16(22)14-4-6-15(7-5-14)17(23)20-11-9-19(10-12-20)13(2)21/h3,14-15H,1,4-12H2,2H3,(H,18,22)
InChIKeyQLLQBZDKMYOGLH-UHFFFAOYSA-N
XLogP0.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
4-(4-acetylpiperazine-1-carbonyl)-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 109147237
4-(2-ethylpiperidine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 109144922
4-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783969
cyclopropyl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 6467866
(2S)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 93210191
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 24716536
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
4-(4-acetylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147706
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
1-hydroxy-N-prop-2-enylazetidine-3-carboxamide
CID 67355505

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide (CID 109144861) is 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide is C=CCNC(=O)C1CCC(C(=O)N2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
The InChIKey is QLLQBZDKMYOGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-8-18-16(22)14-4-6-15(7-5-14)17(23)20-11-9-19(10-12-20)13(2)21/h3,14-15H,1,4-12H2,2H3,(H,18,22).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylcyclohexane-1-carboxamide is sourced from PubChem (CID 109144861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).