4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane

C17H29N3O — CID 155748028

IUPAC4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
SMILESCC.CC(C)(C)c1ccc(N2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C15H23N3O.C2H6/c1-15(2,3)12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(16)19;1-2/h4-7H,8-11H2,1-3H3,(H2,16,19);1-2H3
InChIKeyRSYZFZCXEBWPMK-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.21
Rot. Bonds1

About 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane

4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane (PubChem CID 155748028) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
PubChem CID155748028
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane
SMILESCC.CC(C)(C)c1ccc(N2CCN(C(N)=O)CC2)cc1
InChIInChI=1S/C15H23N3O.C2H6/c1-15(2,3)12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(16)19;1-2/h4-7H,8-11H2,1-3H3,(H2,16,19);1-2H3
InChIKeyRSYZFZCXEBWPMK-UHFFFAOYSA-N
XLogP3.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 155453460
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
3-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 145226215
(4-tert-butylphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077721
1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113076572
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
(4-tert-butylphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228417
1-tert-butyl-4-(4-tert-butylphenyl)piperazine
CID 59476465
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132663670

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane?
The IUPAC name of 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane (CID 155748028) is 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane.
What is the SMILES notation for 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane?
The canonical SMILES for 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane is CC.CC(C)(C)c1ccc(N2CCN(C(N)=O)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane?
The InChIKey is RSYZFZCXEBWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.C2H6/c1-15(2,3)12-4-6-13(7-5-12)17-8-10-18(11-9-17)14(16)19;1-2/h4-7H,8-11H2,1-3H3,(H2,16,19);1-2H3.
What are the key properties of 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane?
4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane has a molecular weight of 291.44 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)piperazine-1-carboxamide;ethane is sourced from PubChem (CID 155748028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).