ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate

C19H23N5O4 — CID 9462986

IUPACethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1
InChIInChI=1S/C19H23N5O4/c1-3-24-18(26)15-8-6-5-7-14(15)16(22-24)17(25)21-20-13-9-11-23(12-10-13)19(27)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,21,25)
InChIKeyFYXSJWSIEWDHLV-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.75
Rot. Bonds4

About ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate

ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate (PubChem CID 9462986) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate
PubChem CID9462986
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nameethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1
InChIInChI=1S/C19H23N5O4/c1-3-24-18(26)15-8-6-5-7-14(15)16(22-24)17(25)21-20-13-9-11-23(12-10-13)19(27)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,21,25)
InChIKeyFYXSJWSIEWDHLV-UHFFFAOYSA-N
XLogP1.75
TPSA105.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9463081
N-[(Z)-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462821
3-benzyl-N-(cycloheptylideneamino)-4-oxophthalazine-1-carboxamide
CID 4002441
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
3-ethyl-N-[(Z)-2-methylpentan-3-ylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462939
N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 18271120
ethyl 4-(carbamoylhydrazinylidene)piperidine-1-carboxylate
CID 3915088
3-benzyl-N-[(E)-(3-methylcyclopent-2-en-1-ylidene)amino]-4-oxophthalazine-1-carboxamide
CID 9175091
ethyl (E)-3-[4-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]phenyl]prop-2-enoate
CID 27902250
ethyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4791044
3-ethyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 9150107

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate (CID 9462986) is ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=NNC(=O)c2nn(CC)c(=O)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
The InChIKey is FYXSJWSIEWDHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-24-18(26)15-8-6-5-7-14(15)16(22-24)17(25)21-20-13-9-11-23(12-10-13)19(27)28-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate?
ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinylidene]piperidine-1-carboxylate is sourced from PubChem (CID 9462986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).