1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

C21H25N3O2 — CID 3809276

IUPAC1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-7-9-18(10-8-16)20(25)22-23-21(26)19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAZUJSONAJYIKIU-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.67
Rot. Bonds4

About 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide

1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 3809276) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
PubChem CID3809276
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-16-7-9-18(10-8-16)20(25)22-23-21(26)19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKeyAZUJSONAJYIKIU-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide (CID 3809276) is 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is Cc1ccc(C(=O)NNC(=O)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is AZUJSONAJYIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-7-9-18(10-8-16)20(25)22-23-21(26)19-11-13-24(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide?
1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 351.45 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4-methylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 3809276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).