4-amino-1-benzylpiperidine-4-carbohydrazide

C13H20N4O — CID 21495768

IUPAC4-amino-1-benzylpiperidine-4-carbohydrazide
SMILESNNC(=O)C1(N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N4O/c14-13(12(18)16-15)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10,14-15H2,(H,16,18)
InChIKeyJMFXQFZUNNQKJO-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.03
Rot. Bonds3

About 4-amino-1-benzylpiperidine-4-carbohydrazide

4-amino-1-benzylpiperidine-4-carbohydrazide (PubChem CID 21495768) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-benzylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name4-amino-1-benzylpiperidine-4-carbohydrazide
PubChem CID21495768
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-1-benzylpiperidine-4-carbohydrazide
SMILESNNC(=O)C1(N)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N4O/c14-13(12(18)16-15)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10,14-15H2,(H,16,18)
InChIKeyJMFXQFZUNNQKJO-UHFFFAOYSA-N
XLogP-0.03
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-amino-1-benzylpiperidine-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

methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
1-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 119901973
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
3-amino-1-[(4-hydroxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321090
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
heptyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044646
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzylpiperidine-4-carbohydrazide?
The IUPAC name of 4-amino-1-benzylpiperidine-4-carbohydrazide (CID 21495768) is 4-amino-1-benzylpiperidine-4-carbohydrazide.
What is the SMILES notation for 4-amino-1-benzylpiperidine-4-carbohydrazide?
The canonical SMILES for 4-amino-1-benzylpiperidine-4-carbohydrazide is NNC(=O)C1(N)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-benzylpiperidine-4-carbohydrazide?
The InChIKey is JMFXQFZUNNQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(12(18)16-15)6-8-17(9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10,14-15H2,(H,16,18).
What are the key properties of 4-amino-1-benzylpiperidine-4-carbohydrazide?
4-amino-1-benzylpiperidine-4-carbohydrazide has a molecular weight of 248.33 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzylpiperidine-4-carbohydrazide is sourced from PubChem (CID 21495768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).