(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one

C15H23N3O — CID 171811581

IUPAC(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
SMILESC=N/C(=C\C(C)=C/C)C(=O)N1CCN(C(=C)C)CC1
InChIInChI=1S/C15H23N3O/c1-6-13(4)11-14(16-5)15(19)18-9-7-17(8-10-18)12(2)3/h6,11H,2,5,7-10H2,1,3-4H3/b13-6-,14-11-
InChIKeyOUDHDBKQMJBXOF-LOVXHATNSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds4

About (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one

(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one (PubChem CID 171811581) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
PubChem CID171811581
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
SMILESC=N/C(=C\C(C)=C/C)C(=O)N1CCN(C(=C)C)CC1
InChIInChI=1S/C15H23N3O/c1-6-13(4)11-14(16-5)15(19)18-9-7-17(8-10-18)12(2)3/h6,11H,2,5,7-10H2,1,3-4H3/b13-6-,14-11-
InChIKeyOUDHDBKQMJBXOF-LOVXHATNSA-N
XLogP2.21
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794
4-(2-methylprop-2-enoyl)piperazine-1-carbonyl chloride
CID 19349359
(2E,7Z,9Z)-2,9-dimethyl-7-(methylideneamino)-6-oxoundeca-2,7,9-trienoic acid
CID 155710089
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163
(2E,3Z)-2-ethylidene-5-methyl-1-morpholin-4-ylhexa-3,5-dien-1-one
CID 166764494
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
1-prop-1-en-2-ylpiperidine
CID 12570653
4-methylsulfanyl-1-(4-prop-1-en-2-ylpiperazin-1-yl)butan-1-one
CID 167215138
N-[(3Z)-2-chloropenta-1,3-dien-3-yl]methanimine
CID 154656713
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The IUPAC name of (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one (CID 171811581) is (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one.
What is the SMILES notation for (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The canonical SMILES for (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one is C=N/C(=C\C(C)=C/C)C(=O)N1CCN(C(=C)C)CC1.
What is the InChIKey of (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The InChIKey is OUDHDBKQMJBXOF-LOVXHATNSA-N. The full InChI is InChI=1S/C15H23N3O/c1-6-13(4)11-14(16-5)15(19)18-9-7-17(8-10-18)12(2)3/h6,11H,2,5,7-10H2,1,3-4H3/b13-6-,14-11-.
What are the key properties of (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
(2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-methyl-2-(methylideneamino)-1-(4-prop-1-en-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one is sourced from PubChem (CID 171811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).