N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride

C8H16ClN3O2 — CID 22934824

IUPACN'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
SMILESCN1CCC(NC(=O)C(N)=O)CC1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-11-4-2-6(3-5-11)10-8(13)7(9)12;/h6H,2-5H2,1H3,(H2,9,12)(H,10,13);1H
InChIKeyZJVHSGZFNYPYQV-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.90
Rot. Bonds1

About N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride

N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride (PubChem CID 22934824) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride.

Molecular Properties

Compound NameN'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
PubChem CID22934824
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC NameN'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
SMILESCN1CCC(NC(=O)C(N)=O)CC1.Cl
InChIInChI=1S/C8H15N3O2.ClH/c1-11-4-2-6(3-5-11)10-8(13)7(9)12;/h6H,2-5H2,1H3,(H2,9,12)(H,10,13);1H
InChIKeyZJVHSGZFNYPYQV-UHFFFAOYSA-N
XLogP-0.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide
CID 79809510
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid
CID 55168688
2-hydroxy-N-(1-methylpiperidin-4-yl)propanamide
CID 115140450
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
2-(2-aminocyclohexyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 62781851
3-[(1-methylpiperidin-4-yl)amino]butanamide
CID 115572762
3-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373494
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
3-[(1-methylpyrrolidin-3-yl)amino]-2,3-dioxopropanoic acid
CID 131203416

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride?
The IUPAC name of N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride (CID 22934824) is N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride.
What is the SMILES notation for N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride?
The canonical SMILES for N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride is CN1CCC(NC(=O)C(N)=O)CC1.Cl.
What is the InChIKey of N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride?
The InChIKey is ZJVHSGZFNYPYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c1-11-4-2-6(3-5-11)10-8(13)7(9)12;/h6H,2-5H2,1H3,(H2,9,12)(H,10,13);1H.
What are the key properties of N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride?
N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride is sourced from PubChem (CID 22934824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).