N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide

C17H27N3O — CID 108884847

IUPACN-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-5-19-10-12-20(13-11-19)16(21)18-15-8-6-14(7-9-15)17(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,18,21)
InChIKeyQHEGRJMNTJLZAJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.15
Rot. Bonds2

About N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide (PubChem CID 108884847) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
PubChem CID108884847
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-5-19-10-12-20(13-11-19)16(21)18-15-8-6-14(7-9-15)17(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,18,21)
InChIKeyQHEGRJMNTJLZAJ-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
N-(4-tert-butylphenyl)-4-(3,3-dimethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 59143461
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108895534
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943
4-[(2S)-2-hydroxybutyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 97025685
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide (CID 108884847) is N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide?
The InChIKey is QHEGRJMNTJLZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-19-10-12-20(13-11-19)16(21)18-15-8-6-14(7-9-15)17(2,3)4/h6-9H,5,10-13H2,1-4H3,(H,18,21).
What are the key properties of N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108884847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).