2-deuteriopiperidine-1-carboxamide

C6H12N2O — CID 168863775

IUPAC2-deuteriopiperidine-1-carboxamide
SMILES[2H]C1CCCCN1C(N)=O
InChIInChI=1S/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)/i4D
InChIKeyJSPCTNUQYWIIOT-QYKNYGDISA-N
MW129.18 g/mol
LogP0.55
Rot. Bonds

About 2-deuteriopiperidine-1-carboxamide

2-deuteriopiperidine-1-carboxamide (PubChem CID 168863775) has the molecular formula C6H12N2O and a molecular weight of 129.18 g/mol. Its IUPAC name is 2-deuteriopiperidine-1-carboxamide.

Molecular Properties

Compound Name2-deuteriopiperidine-1-carboxamide
PubChem CID168863775
Molecular FormulaC6H12N2O
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name2-deuteriopiperidine-1-carboxamide
SMILES[2H]C1CCCCN1C(N)=O
InChIInChI=1S/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)/i4D
InChIKeyJSPCTNUQYWIIOT-QYKNYGDISA-N
XLogP0.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-deuteriopiperidine-1-carboxamide?
The IUPAC name of 2-deuteriopiperidine-1-carboxamide (CID 168863775) is 2-deuteriopiperidine-1-carboxamide.
What is the SMILES notation for 2-deuteriopiperidine-1-carboxamide?
The canonical SMILES for 2-deuteriopiperidine-1-carboxamide is [2H]C1CCCCN1C(N)=O.
What is the InChIKey of 2-deuteriopiperidine-1-carboxamide?
The InChIKey is JSPCTNUQYWIIOT-QYKNYGDISA-N. The full InChI is InChI=1S/C6H12N2O/c7-6(9)8-4-2-1-3-5-8/h1-5H2,(H2,7,9)/i4D.
What are the key properties of 2-deuteriopiperidine-1-carboxamide?
2-deuteriopiperidine-1-carboxamide has a molecular weight of 129.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopiperidine-1-carboxamide is sourced from PubChem (CID 168863775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).