2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide

C24H37N3O — CID 69220329

IUPAC2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O/c1-5-25-23(28)18-26-14-16-27(17-15-26)22-9-7-6-8-21(22)19-10-12-20(13-11-19)24(2,3)4/h6-10,20H,5,11-18H2,1-4H3,(H,25,28)
InChIKeyMKMCASOJSVTKGR-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.17
Rot. Bonds5

About 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide

2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 69220329) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide
PubChem CID69220329
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O/c1-5-25-23(28)18-26-14-16-27(17-15-26)22-9-7-6-8-21(22)19-10-12-20(13-11-19)24(2,3)4/h6-10,20H,5,11-18H2,1-4H3,(H,25,28)
InChIKeyMKMCASOJSVTKGR-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazine
CID 23141887
1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine
CID 23141899
3-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-N-ethylpropanamide
CID 23142984
N-(ethylcarbamoyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150301
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-ethylacetamide
CID 36895358
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
N-ethyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 165433778
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
1-[4-(4-tert-butylcyclohexen-1-yl)phenyl]ethanone
CID 10422561
3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]-N-ethylpropanamide
CID 167088560

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide (CID 69220329) is 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2ccccc2C2=CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is MKMCASOJSVTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-5-25-23(28)18-26-14-16-27(17-15-26)22-9-7-6-8-21(22)19-10-12-20(13-11-19)24(2,3)4/h6-10,20H,5,11-18H2,1-4H3,(H,25,28).
What are the key properties of 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 383.58 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-tert-butylcyclohexen-1-yl)phenyl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 69220329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).