1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one

C15H26N4O — CID 173479757

IUPAC1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESC=C(N=C/C=C\N)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-13(17-7-5-6-16)18-8-10-19(11-9-18)14(20)12-15(2,3)4/h5-7H,1,8-12,16H2,2-4H3/b6-5-,17-7?
InChIKeyWOKBJCPROKUPSS-YWKAUNPBSA-N
MW278.40 g/mol
LogP1.58
Rot. Bonds4

About 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 173479757) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID173479757
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESC=C(N=C/C=C\N)N1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-13(17-7-5-6-16)18-8-10-19(11-9-18)14(20)12-15(2,3)4/h5-7H,1,8-12,16H2,2-4H3/b6-5-,17-7?
InChIKeyWOKBJCPROKUPSS-YWKAUNPBSA-N
XLogP1.58
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 173479757) is 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is C=C(N=C/C=C\N)N1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is WOKBJCPROKUPSS-YWKAUNPBSA-N. The full InChI is InChI=1S/C15H26N4O/c1-13(17-7-5-6-16)18-8-10-19(11-9-18)14(20)12-15(2,3)4/h5-7H,1,8-12,16H2,2-4H3/b6-5-,17-7?.
What are the key properties of 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[[(Z)-3-aminoprop-2-enylidene]amino]ethenyl]piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 173479757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).