1-(trideuteriomethyl)piperidine-4-carboxamide

C7H14N2O — CID 140737186

IUPAC1-(trideuteriomethyl)piperidine-4-carboxamide
SMILES[2H]C([2H])([2H])N1CCC(C(N)=O)CC1
InChIInChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3
InChIKeyBTVJTKWOCSGJDQ-FIBGUPNXSA-N
MW145.22 g/mol
LogP-0.19
Rot. Bonds2

About 1-(trideuteriomethyl)piperidine-4-carboxamide

1-(trideuteriomethyl)piperidine-4-carboxamide (PubChem CID 140737186) has the molecular formula C7H14N2O and a molecular weight of 145.22 g/mol. Its IUPAC name is 1-(trideuteriomethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(trideuteriomethyl)piperidine-4-carboxamide
PubChem CID140737186
Molecular FormulaC7H14N2O
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name1-(trideuteriomethyl)piperidine-4-carboxamide
SMILES[2H]C([2H])([2H])N1CCC(C(N)=O)CC1
InChIInChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3
InChIKeyBTVJTKWOCSGJDQ-FIBGUPNXSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(trideuteriomethyl)piperidine-4-carboxamide (CID 140737186) is 1-(trideuteriomethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(trideuteriomethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(trideuteriomethyl)piperidine-4-carboxamide is [2H]C([2H])([2H])N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(trideuteriomethyl)piperidine-4-carboxamide?
The InChIKey is BTVJTKWOCSGJDQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9-4-2-6(3-5-9)7(8)10/h6H,2-5H2,1H3,(H2,8,10)/i1D3.
What are the key properties of 1-(trideuteriomethyl)piperidine-4-carboxamide?
1-(trideuteriomethyl)piperidine-4-carboxamide has a molecular weight of 145.22 g/mol, XLogP of -0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)piperidine-4-carboxamide is sourced from PubChem (CID 140737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).