6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine

C19H27N3O — CID 159958389

IUPAC6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine
SMILESCN1CCN(CCCOC2=CC(N)C(=C3C=CC=C3)C=C2)CC1
InChIInChI=1S/C19H27N3O/c1-21-10-12-22(13-11-21)9-4-14-23-17-7-8-18(19(20)15-17)16-5-2-3-6-16/h2-3,5-8,15,19H,4,9-14,20H2,1H3
InChIKeyGDZOCXNXQDSCCN-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.84
Rot. Bonds5

About 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine

6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine (PubChem CID 159958389) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine
PubChem CID159958389
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine
SMILESCN1CCN(CCCOC2=CC(N)C(=C3C=CC=C3)C=C2)CC1
InChIInChI=1S/C19H27N3O/c1-21-10-12-22(13-11-21)9-4-14-23-17-7-8-18(19(20)15-17)16-5-2-3-6-16/h2-3,5-8,15,19H,4,9-14,20H2,1H3
InChIKeyGDZOCXNXQDSCCN-UHFFFAOYSA-N
XLogP1.84
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-Fluoroethoxy)-4-methylcyclohepta-2,4,6-trien-1-yl]piperazine
CID 143061932
N,N'-di(4-ethoxy-carbonylphenyl)ethylenediamine
CID 129794398
1-[2-(6-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)ethyl]piperazine
CID 68779781
(3-Ethoxy-6-piperazin-1-ylcyclohexa-2,4-dien-1-ylidene)methanone
CID 88850353
1-(3-Methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 89793124
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
Ethane;1-(3-methoxycyclohexa-2,4-dien-1-yl)piperazine
CID 142256489
(4E,6E)-7-methoxy-4-methyl-1-piperidin-1-ylnona-4,6,8-trien-2-amine
CID 143615637
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
CID 143655676
1-[(1S)-1-(3H-isochromen-6-yl)ethyl]piperazine
CID 156309878
6-Cyclopenta-2,4-dien-1-ylidene-3-(2-morpholin-4-ylethoxy)cyclohexa-2,4-dien-1-amine
CID 161876517

Frequently Asked Questions

What is the IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine (CID 159958389) is 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine is CN1CCN(CCCOC2=CC(N)C(=C3C=CC=C3)C=C2)CC1.
What is the InChIKey of 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine?
The InChIKey is GDZOCXNXQDSCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-10-12-22(13-11-21)9-4-14-23-17-7-8-18(19(20)15-17)16-5-2-3-6-16/h2-3,5-8,15,19H,4,9-14,20H2,1H3.
What are the key properties of 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine?
6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine has a molecular weight of 313.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopenta-2,4-dien-1-ylidene-3-[3-(4-methylpiperazin-1-yl)propoxy]cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 159958389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).