methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride

C8H15ClN2O3 — CID 70634666

IUPACmethyl(piperidine-1-carbonyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-9(8(12)13)7(11)10-5-3-2-4-6-10;/h2-6H2,1H3,(H,12,13);1H
InChIKeyVVPGJRWAWFGEFI-UHFFFAOYSA-N
MW222.67 g/mol
LogP1.62
Rot. Bonds

About methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride

methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride (PubChem CID 70634666) has the molecular formula C8H15ClN2O3 and a molecular weight of 222.67 g/mol. Its IUPAC name is methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namemethyl(piperidine-1-carbonyl)carbamic acid;hydrochloride
PubChem CID70634666
Molecular FormulaC8H15ClN2O3
Molecular Weight222.67 g/mol
Exact Mass222.08
IUPAC Namemethyl(piperidine-1-carbonyl)carbamic acid;hydrochloride
SMILESCN(C(=O)O)C(=O)N1CCCCC1.Cl
InChIInChI=1S/C8H14N2O3.ClH/c1-9(8(12)13)7(11)10-5-3-2-4-6-10;/h2-6H2,1H3,(H,12,13);1H
InChIKeyVVPGJRWAWFGEFI-UHFFFAOYSA-N
XLogP1.62
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',N'-trimethylpiperidine-1-carbohydrazide;dihydrate
CID 68765556
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
oxalic acid;piperidine-1-carboxylic acid
CID 158853542
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
1-[methyl(3-methylbutan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43570509
4-[[azepane-1-carbonyl(methyl)amino]methyl]benzoic acid
CID 61188179
cyclohexanecarbonyl(methyl)carbamic acid;hydrochloride
CID 70634173
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N-methyl-N-(2-methylbutan-2-yl)azepane-1-carboxamide
CID 116656144

Frequently Asked Questions

What is the IUPAC name of methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride?
The IUPAC name of methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride (CID 70634666) is methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride.
What is the SMILES notation for methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride?
The canonical SMILES for methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride is CN(C(=O)O)C(=O)N1CCCCC1.Cl.
What is the InChIKey of methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride?
The InChIKey is VVPGJRWAWFGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3.ClH/c1-9(8(12)13)7(11)10-5-3-2-4-6-10;/h2-6H2,1H3,(H,12,13);1H.
What are the key properties of methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride?
methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride has a molecular weight of 222.67 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(piperidine-1-carbonyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70634666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).