1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

C21H23Cl2N3O2 — CID 1485113

IUPAC1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14-2-5-16(6-3-14)20(27)24-25-21(28)17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyLOZVONILXXKVGU-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.98
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 1485113) has the molecular formula C21H23Cl2N3O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
PubChem CID1485113
Molecular FormulaC21H23Cl2N3O2
Molecular Weight420.34 g/mol
Exact Mass419.12
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O2/c1-14-2-5-16(6-3-14)20(27)24-25-21(28)17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyLOZVONILXXKVGU-UHFFFAOYSA-N
XLogP3.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53284678
N-(4-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 38105132
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
N-[(2-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284707
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(3,4-dichlorophenyl)methyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 38102463
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2-azaspiro[4.5]decane-8-carboxamide
CID 168974025
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (CID 1485113) is 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is LOZVONILXXKVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O2/c1-14-2-5-16(6-3-14)20(27)24-25-21(28)17-8-10-26(11-9-17)13-15-4-7-18(22)19(23)12-15/h2-7,12,17H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 420.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 1485113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).