1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide

C14H21N3O — CID 54793639

IUPAC1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
SMILESCc1ccccc1CN1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H21N3O/c1-11-4-2-3-5-13(11)10-17-8-6-12(7-9-17)14(18)16-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyBHURVNQJPXPRSD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.20
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide

1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide (PubChem CID 54793639) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
PubChem CID54793639
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
SMILESCc1ccccc1CN1CCC(C(=O)NN)CC1
InChIInChI=1S/C14H21N3O/c1-11-4-2-3-5-13(11)10-17-8-6-12(7-9-17)14(18)16-15/h2-5,12H,6-10,15H2,1H3,(H,16,18)
InChIKeyBHURVNQJPXPRSD-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylphenyl)methyl]-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 45007317
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 45019892
N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 45016956
N-(cyclopropylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 56874677
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42210941
N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128
ethyl 2-chloro-4-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 46777127

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide (CID 54793639) is 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide is Cc1ccccc1CN1CCC(C(=O)NN)CC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide?
The InChIKey is BHURVNQJPXPRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-2-3-5-13(11)10-17-8-6-12(7-9-17)14(18)16-15/h2-5,12H,6-10,15H2,1H3,(H,16,18).
What are the key properties of 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide?
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide has a molecular weight of 247.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54793639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).