N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride

C9H18ClN3O2 — CID 3032055

IUPACN-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride
SMILESCC(=O)NC(=O)NCN1CCCCC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-8(13)11-9(14)10-7-12-5-3-2-4-6-12;/h2-7H2,1H3,(H2,10,11,13,14);1H
InChIKeyARPXQYQZJKPPMR-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.70
Rot. Bonds2

About N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride

N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride (PubChem CID 3032055) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride
PubChem CID3032055
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC NameN-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride
SMILESCC(=O)NC(=O)NCN1CCCCC1.Cl
InChIInChI=1S/C9H17N3O2.ClH/c1-8(13)11-9(14)10-7-12-5-3-2-4-6-12;/h2-7H2,1H3,(H2,10,11,13,14);1H
InChIKeyARPXQYQZJKPPMR-UHFFFAOYSA-N
XLogP0.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride (CID 3032055) is N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride is CC(=O)NC(=O)NCN1CCCCC1.Cl.
What is the InChIKey of N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride?
The InChIKey is ARPXQYQZJKPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c1-8(13)11-9(14)10-7-12-5-3-2-4-6-12;/h2-7H2,1H3,(H2,10,11,13,14);1H.
What are the key properties of N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride?
N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-1-ylmethylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 3032055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).