N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide

C13H25N3O — CID 108911477

IUPACN-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N/C=C/C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-5-15-8-10-16(11-9-15)12(17)14-7-6-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,17)/b7-6+
InChIKeyBEOPMINDECRBJB-VOTSOKGWSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds2

About N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide

N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide (PubChem CID 108911477) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide
PubChem CID108911477
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N/C=C/C(C)(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-5-15-8-10-16(11-9-15)12(17)14-7-6-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,17)/b7-6+
InChIKeyBEOPMINDECRBJB-VOTSOKGWSA-N
XLogP1.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(E)-3,3-dimethylbut-1-enyl]piperidine-1,4-dicarboxamide
CID 108911524
N-[(E)-3,3-dimethylbut-1-enyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108911512
N,4-diethylpiperazine-1-carboxamide
CID 22309084
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
tert-butyl 4-ethylpiperazine-1-carboxylate;formic acid
CID 170976729
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
10-ethyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 177187641
3-[(4-ethylpiperazine-1-carbonyl)amino]propanoic acid
CID 61190436
1,4-bis(4-ethylpiperazin-1-yl)-2,2,3,3-tetrafluorobutane-1,4-dione
CID 4167516
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide (CID 108911477) is N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)N/C=C/C(C)(C)C)CC1.
What is the InChIKey of N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is BEOPMINDECRBJB-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-15-8-10-16(11-9-15)12(17)14-7-6-13(2,3)4/h6-7H,5,8-11H2,1-4H3,(H,14,17)/b7-6+.
What are the key properties of N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide?
N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,3-dimethylbut-1-enyl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 108911477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).