4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide

C24H30N4O2 — CID 175281301

IUPAC4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
SMILESCCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(CC)c1.NNC=O
InChIInChI=1S/C23H26N2O.CH4N2O/c1-3-17-7-10-22(19(4-2)15-17)23(26)25-13-11-21(12-14-25)20-8-5-18(16-24)6-9-20;2-3-1-4/h5-10,15,21H,3-4,11-14H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyPZGKDDWJFOPGAE-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.31
Rot. Bonds5

About 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide

4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide (PubChem CID 175281301) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide.

Molecular Properties

Compound Name4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
PubChem CID175281301
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
SMILESCCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(CC)c1.NNC=O
InChIInChI=1S/C23H26N2O.CH4N2O/c1-3-17-7-10-22(19(4-2)15-17)23(26)25-13-11-21(12-14-25)20-8-5-18(16-24)6-9-20;2-3-1-4/h5-10,15,21H,3-4,11-14H2,1-2H3;1H,2H2,(H,3,4)
InChIKeyPZGKDDWJFOPGAE-UHFFFAOYSA-N
XLogP3.31
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
CID 175281300
methyl 2,3-bis[4-(4-cyanophenyl)piperidine-1-carbonyl]-4,6-diethylbenzoate
CID 175395318
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzohydrazide;hydrazine;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzoate;hydrate
CID 161317526
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
CID 24987425
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pentan-3-ylurea
CID 69168670
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N,4-dimethylbenzamide;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanamine
CID 158788228
4-[1-[3-(propan-2-ylamino)pyridazine-4-carbonyl]piperidin-4-yl]benzonitrile
CID 174712624

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide?
The IUPAC name of 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide (CID 175281301) is 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide.
What is the SMILES notation for 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide?
The canonical SMILES for 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide is CCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c(CC)c1.NNC=O.
What is the InChIKey of 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide?
The InChIKey is PZGKDDWJFOPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.CH4N2O/c1-3-17-7-10-22(19(4-2)15-17)23(26)25-13-11-21(12-14-25)20-8-5-18(16-24)6-9-20;2-3-1-4/h5-10,15,21H,3-4,11-14H2,1-2H3;1H,2H2,(H,3,4).
What are the key properties of 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide?
4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide has a molecular weight of 406.53 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide is sourced from PubChem (CID 175281301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).