N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate

C9H23N3O3 — CID 68765556

IUPACN,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate
SMILESCN(C)N(C)C(=O)N1CCCCC1.O.O
InChIInChI=1S/C9H19N3O.2H2O/c1-10(2)11(3)9(13)12-7-5-4-6-8-12;;/h4-8H2,1-3H3;2*1H2
InChIKeyXGYOOHVSDVRDTO-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.65
Rot. Bonds1

About N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate

N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate (PubChem CID 68765556) has the molecular formula C9H23N3O3 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate.

Molecular Properties

Compound NameN,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate
PubChem CID68765556
Molecular FormulaC9H23N3O3
Molecular Weight221.30 g/mol
Exact Mass221.17
IUPAC NameN,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate
SMILESCN(C)N(C)C(=O)N1CCCCC1.O.O
InChIInChI=1S/C9H19N3O.2H2O/c1-10(2)11(3)9(13)12-7-5-4-6-8-12;;/h4-8H2,1-3H3;2*1H2
InChIKeyXGYOOHVSDVRDTO-UHFFFAOYSA-N
XLogP-0.65
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride
CID 70634666
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116656144
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
N-methyl-N-(4-methylcyclohexyl)piperidine-1-carboxamide
CID 115578678
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate?
The IUPAC name of N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate (CID 68765556) is N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate.
What is the SMILES notation for N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate?
The canonical SMILES for N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate is CN(C)N(C)C(=O)N1CCCCC1.O.O.
What is the InChIKey of N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate?
The InChIKey is XGYOOHVSDVRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.2H2O/c1-10(2)11(3)9(13)12-7-5-4-6-8-12;;/h4-8H2,1-3H3;2*1H2.
What are the key properties of N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate?
N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate has a molecular weight of 221.30 g/mol, XLogP of -0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate is sourced from PubChem (CID 68765556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).