4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one

C15H25N3O — CID 134406503

IUPAC4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one
SMILESC=C(C)/N=C/C(=C)N1CCN(CC(C)(C)C)CC1=O
InChIInChI=1S/C15H25N3O/c1-12(2)16-9-13(3)18-8-7-17(10-14(18)19)11-15(4,5)6/h9H,1,3,7-8,10-11H2,2,4-6H3/b16-9+
InChIKeyKHRCLOFIGIWDKD-CXUHLZMHSA-N
MW263.38 g/mol
LogP2.29
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one

4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one (PubChem CID 134406503) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one
PubChem CID134406503
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one
SMILESC=C(C)/N=C/C(=C)N1CCN(CC(C)(C)C)CC1=O
InChIInChI=1S/C15H25N3O/c1-12(2)16-9-13(3)18-8-7-17(10-14(18)19)11-15(4,5)6/h9H,1,3,7-8,10-11H2,2,4-6H3/b16-9+
InChIKeyKHRCLOFIGIWDKD-CXUHLZMHSA-N
XLogP2.29
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one (CID 134406503) is 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one is C=C(C)/N=C/C(=C)N1CCN(CC(C)(C)C)CC1=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one?
The InChIKey is KHRCLOFIGIWDKD-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)16-9-13(3)18-8-7-17(10-14(18)19)11-15(4,5)6/h9H,1,3,7-8,10-11H2,2,4-6H3/b16-9+.
What are the key properties of 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one?
4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperazin-2-one is sourced from PubChem (CID 134406503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).