4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide

C20H31N3O2 — CID 86999696

IUPAC4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCc1ccc(C(C)NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-6-16-7-9-17(10-8-16)15(2)21-19(25)23-13-11-22(12-14-23)18(24)20(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,21,25)
InChIKeyHJRXEHZJZMVQKY-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.21
Rot. Bonds3

About 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide

4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 86999696) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID86999696
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCc1ccc(C(C)NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-6-16-7-9-17(10-8-16)15(2)21-19(25)23-13-11-22(12-14-23)18(24)20(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,21,25)
InChIKeyHJRXEHZJZMVQKY-UHFFFAOYSA-N
XLogP3.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126432772
N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108510968
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 126444214
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110399044
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108510982
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide (CID 86999696) is 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide is CCc1ccc(C(C)NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is HJRXEHZJZMVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-6-16-7-9-17(10-8-16)15(2)21-19(25)23-13-11-22(12-14-23)18(24)20(3,4)5/h7-10,15H,6,11-14H2,1-5H3,(H,21,25).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide?
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 86999696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).