(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone

C19H25N3O — CID 118549047

IUPAC(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone
SMILESCCN1CCN(C(=O)C2=CCC(c3cncc(C)c3)C=C2)CC1
InChIInChI=1S/C19H25N3O/c1-3-21-8-10-22(11-9-21)19(23)17-6-4-16(5-7-17)18-12-15(2)13-20-14-18/h4,6-7,12-14,16H,3,5,8-11H2,1-2H3
InChIKeyUNQMIABYMRYBRA-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.52
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone

(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone (PubChem CID 118549047) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone
PubChem CID118549047
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone
SMILESCCN1CCN(C(=O)C2=CCC(c3cncc(C)c3)C=C2)CC1
InChIInChI=1S/C19H25N3O/c1-3-21-8-10-22(11-9-21)19(23)17-6-4-16(5-7-17)18-12-15(2)13-20-14-18/h4,6-7,12-14,16H,3,5,8-11H2,1-2H3
InChIKeyUNQMIABYMRYBRA-UHFFFAOYSA-N
XLogP2.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone with MolForge

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Related Compounds

3-methyl-5-[4-(pyrrolidin-1-ylmethyl)cyclohexa-2,4-dien-1-yl]pyridine
CID 118549028
(4-ethylpiperazin-1-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 109225700
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104584
N'-hydroxy-2-[4-(5-methylpyridine-3-carbonyl)piperazin-1-yl]ethanimidamide
CID 77072546
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
(4-ethylpiperazin-1-yl)-(2-fluoro-4-methylphenyl)methanone
CID 70215264

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone (CID 118549047) is (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone is CCN1CCN(C(=O)C2=CCC(c3cncc(C)c3)C=C2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone?
The InChIKey is UNQMIABYMRYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-21-8-10-22(11-9-21)19(23)17-6-4-16(5-7-17)18-12-15(2)13-20-14-18/h4,6-7,12-14,16H,3,5,8-11H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone?
(4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone has a molecular weight of 311.43 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-(5-methyl-3-pyridinyl)cyclohexa-1,5-dien-1-yl]methanone is sourced from PubChem (CID 118549047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).