2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide

C6H12N2O — CID 131869337

IUPAC2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(C(N)=O)C1([2H])[2H]
InChIInChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)/i1D2,2D2,3D2,4D2,5D
InChIKeyDPBWFNDFMCCGGJ-UHUJFCCWSA-N
MW137.23 g/mol
LogP-0.53
Rot. Bonds1

About 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide

2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide (PubChem CID 131869337) has the molecular formula C6H12N2O and a molecular weight of 137.23 g/mol. Its IUPAC name is 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide.

Molecular Properties

Compound Name2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
PubChem CID131869337
Molecular FormulaC6H12N2O
Molecular Weight137.23 g/mol
Exact Mass137.15
IUPAC Name2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide
SMILES[2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(C(N)=O)C1([2H])[2H]
InChIInChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)/i1D2,2D2,3D2,4D2,5D
InChIKeyDPBWFNDFMCCGGJ-UHUJFCCWSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-4-ol;hydrochloride
CID 171394746
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piperidine-4-carboxamide;trihydrochloride
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CID 93496955
dioxirane-3-carboxamide
CID 101107076
acetamide;piperazine
CID 18321731
carbamoyl chloride;piperazine
CID 22220031
carbamothioic S-acid;piperazine
CID 118023259
acetamide;piperazine
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CID 162310916

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide?
The IUPAC name of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide (CID 131869337) is 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide.
What is the SMILES notation for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide?
The canonical SMILES for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide is [2H]C1([2H])NC([2H])([2H])C([2H])([2H])C([2H])(C(N)=O)C1([2H])[2H].
What is the InChIKey of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide?
The InChIKey is DPBWFNDFMCCGGJ-UHUJFCCWSA-N. The full InChI is InChI=1S/C6H12N2O/c7-6(9)5-1-3-8-4-2-5/h5,8H,1-4H2,(H2,7,9)/i1D2,2D2,3D2,4D2,5D.
What are the key properties of 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide?
2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide has a molecular weight of 137.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxamide is sourced from PubChem (CID 131869337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).