3-methylpiperidine-3-carbohydrazide

C7H15N3O — CID 63991806

IUPAC3-methylpiperidine-3-carbohydrazide
SMILESCC1(C(=O)NN)CCCNC1
InChIInChI=1S/C7H15N3O/c1-7(6(11)10-8)3-2-4-9-5-7/h9H,2-5,8H2,1H3,(H,10,11)
InChIKeyBSZUFHJNOBINCH-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.63
Rot. Bonds1

About 3-methylpiperidine-3-carbohydrazide

3-methylpiperidine-3-carbohydrazide (PubChem CID 63991806) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-methylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name3-methylpiperidine-3-carbohydrazide
PubChem CID63991806
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-methylpiperidine-3-carbohydrazide
SMILESCC1(C(=O)NN)CCCNC1
InChIInChI=1S/C7H15N3O/c1-7(6(11)10-8)3-2-4-9-5-7/h9H,2-5,8H2,1H3,(H,10,11)
InChIKeyBSZUFHJNOBINCH-UHFFFAOYSA-N
XLogP-0.63
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
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'}

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Related Compounds

methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
N-cyclohexyl-3-methylpiperidine-3-carboxamide
CID 63132420
2-amino-1-(3-methylpiperidin-3-yl)ethanone
CID 115012172
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
N-(3-amino-2-hydroxy-3-oxopropyl)-3-methylpiperidine-3-carboxamide
CID 106175724
N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
N-(3,3-dimethylcyclopentyl)-3-methylpiperidine-3-carboxamide
CID 115977020
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521

Frequently Asked Questions

What is the IUPAC name of 3-methylpiperidine-3-carbohydrazide?
The IUPAC name of 3-methylpiperidine-3-carbohydrazide (CID 63991806) is 3-methylpiperidine-3-carbohydrazide.
What is the SMILES notation for 3-methylpiperidine-3-carbohydrazide?
The canonical SMILES for 3-methylpiperidine-3-carbohydrazide is CC1(C(=O)NN)CCCNC1.
What is the InChIKey of 3-methylpiperidine-3-carbohydrazide?
The InChIKey is BSZUFHJNOBINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(6(11)10-8)3-2-4-9-5-7/h9H,2-5,8H2,1H3,(H,10,11).
What are the key properties of 3-methylpiperidine-3-carbohydrazide?
3-methylpiperidine-3-carbohydrazide has a molecular weight of 157.22 g/mol, XLogP of -0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-3-carbohydrazide is sourced from PubChem (CID 63991806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).