4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide

C15H23N5O2 — CID 122281585

IUPAC4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C15H23N5O2/c1-22-10-5-16-15(21)20-8-6-19(7-9-20)14-11-12-3-2-4-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,21)
InChIKeySEHGORHRUYSCDI-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.44
Rot. Bonds4

About 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide

4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 122281585) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID122281585
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1
InChIInChI=1S/C15H23N5O2/c1-22-10-5-16-15(21)20-8-6-19(7-9-20)14-11-12-3-2-4-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,21)
InChIKeySEHGORHRUYSCDI-UHFFFAOYSA-N
XLogP0.44
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]ethanone
CID 122269137
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 122281562
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 122281083
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 122281154
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345
(5-chloro-2-methoxyphenyl)-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]methanone
CID 122281038
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazine-1-carbonyl]imidazolidin-2-one
CID 122281465
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 122281312
1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-pyridazin-3-yloxyethanone
CID 122281458
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122281359
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 122281585) is 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2cc3c(nn2)CCC3)CC1.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is SEHGORHRUYSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-22-10-5-16-15(21)20-8-6-19(7-9-20)14-11-12-3-2-4-13(12)17-18-14/h11H,2-10H2,1H3,(H,16,21).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 122281585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).