(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone

C21H24N2O — CID 129253985

IUPAC(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone
SMILESC=Cc1ccc(C(=O)N2CCN(CC3=CCC(=C)C=C3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-3-18-8-10-20(11-9-18)21(24)23-14-12-22(13-15-23)16-19-6-4-17(2)5-7-19/h3-4,6-11H,1-2,5,12-16H2
InChIKeyLHYCOVWEZKZFEN-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.53
Rot. Bonds4

About (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone

(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone (PubChem CID 129253985) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone
PubChem CID129253985
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone
SMILESC=Cc1ccc(C(=O)N2CCN(CC3=CCC(=C)C=C3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-3-18-8-10-20(11-9-18)21(24)23-14-12-22(13-15-23)16-19-6-4-17(2)5-7-19/h3-4,6-11H,1-2,5,12-16H2
InChIKeyLHYCOVWEZKZFEN-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-(4-ethenylbenzoyl)piperazin-1-yl]propan-1-one
CID 20722123
1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 20722124
[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]-(4-pyridin-4-ylphenyl)methanone
CID 22628068
(E)-3-(4-bromophenyl)-1-[4-(4-ethenylbenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 122434932
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
3-[4-(4-ethenylbenzoyl)piperazin-1-yl]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 58364141
4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 27799353
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]benzaldehyde
CID 87981370
(4-piperidin-1-ylsulfonylphenyl)-(4-prop-2-enylpiperazin-1-yl)methanone
CID 113072709
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 27799031
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone (CID 129253985) is (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone is C=Cc1ccc(C(=O)N2CCN(CC3=CCC(=C)C=C3)CC2)cc1.
What is the InChIKey of (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is LHYCOVWEZKZFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-18-8-10-20(11-9-18)21(24)23-14-12-22(13-15-23)16-19-6-4-17(2)5-7-19/h3-4,6-11H,1-2,5,12-16H2.
What are the key properties of (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone?
(4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)-[4-[(4-methylidenecyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 129253985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).