N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C26H29N5O4 — CID 55364237

IUPACN'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)(c2ccccc2)CC1
InChIInChI=1S/C26H29N5O4/c1-17(2)31-24(34)21-12-8-7-11-20(21)22(29-31)23(33)27-28-25(35)26(19-9-5-4-6-10-19)13-15-30(16-14-26)18(3)32/h4-12,17H,13-16H2,1-3H3,(H,27,33)(H,28,35)
InChIKeyGMSDAMDCFOQLTL-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.32
Rot. Bonds4

About N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 55364237) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID55364237
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCC(=O)N1CCC(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)(c2ccccc2)CC1
InChIInChI=1S/C26H29N5O4/c1-17(2)31-24(34)21-12-8-7-11-20(21)22(29-31)23(33)27-28-25(35)26(19-9-5-4-6-10-19)13-15-30(16-14-26)18(3)32/h4-12,17H,13-16H2,1-3H3,(H,27,33)(H,28,35)
InChIKeyGMSDAMDCFOQLTL-UHFFFAOYSA-N
XLogP2.32
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 55364237) is N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is CC(=O)N1CCC(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)(c2ccccc2)CC1.
What is the InChIKey of N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is GMSDAMDCFOQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17(2)31-24(34)21-12-8-7-11-20(21)22(29-31)23(33)27-28-25(35)26(19-9-5-4-6-10-19)13-15-30(16-14-26)18(3)32/h4-12,17H,13-16H2,1-3H3,(H,27,33)(H,28,35).
What are the key properties of N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 475.55 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 55364237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).