3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide

C22H23N5O5 — CID 26281878

IUPAC3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N5O5/c1-2-27-21(30)16-7-4-3-6-15(16)18(25-27)20(29)24-23-19(28)14-9-11-26(12-10-14)22(31)17-8-5-13-32-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,28)(H,24,29)
InChIKeyWZOVPNXZSZUIMR-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.32
Rot. Bonds4

About 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide

3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 26281878) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID26281878
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O
InChIInChI=1S/C22H23N5O5/c1-2-27-21(30)16-7-4-3-6-15(16)18(25-27)20(29)24-23-19(28)14-9-11-26(12-10-14)22(31)17-8-5-13-32-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,28)(H,24,29)
InChIKeyWZOVPNXZSZUIMR-UHFFFAOYSA-N
XLogP1.32
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 4806035
N-[4-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 27563932
2-butyl-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phthalazin-1-one
CID 17428260
3-ethyl-N'-(1-methylsulfonylpiperidine-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 16580980
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27685627
2,2,2-trifluoroethyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46538816
2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
CID 26925219
1-(3-benzyl-4-oxophthalazine-1-carbonyl)-N-cyclopropylpiperidine-4-carboxamide
CID 55903511
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502564

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide (CID 26281878) is 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is WZOVPNXZSZUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-2-27-21(30)16-7-4-3-6-15(16)18(25-27)20(29)24-23-19(28)14-9-11-26(12-10-14)22(31)17-8-5-13-32-17/h3-8,13-14H,2,9-12H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide?
3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 437.46 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 26281878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).