4-(trideuteriomethyl)morpholine-2-carboxamide

C6H12N2O2 — CID 175784003

IUPAC4-(trideuteriomethyl)morpholine-2-carboxamide
SMILES[2H]C([2H])([2H])N1CCOC(C(N)=O)C1
InChIInChI=1S/C6H12N2O2/c1-8-2-3-10-5(4-8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/i1D3
InChIKeyVXEXYOOYYPADAL-FIBGUPNXSA-N
MW147.19 g/mol
LogP-1.20
Rot. Bonds2

About 4-(trideuteriomethyl)morpholine-2-carboxamide

4-(trideuteriomethyl)morpholine-2-carboxamide (PubChem CID 175784003) has the molecular formula C6H12N2O2 and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-(trideuteriomethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(trideuteriomethyl)morpholine-2-carboxamide
PubChem CID175784003
Molecular FormulaC6H12N2O2
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-(trideuteriomethyl)morpholine-2-carboxamide
SMILES[2H]C([2H])([2H])N1CCOC(C(N)=O)C1
InChIInChI=1S/C6H12N2O2/c1-8-2-3-10-5(4-8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/i1D3
InChIKeyVXEXYOOYYPADAL-FIBGUPNXSA-N
XLogP-1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)morpholine-2-carboxamide
CID 123261684
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
CID 49460924
4-[(3R)-1-methylpiperidin-3-yl]morpholine-2-carboxamide
CID 140671747
(2S)-4-piperidin-1-ylsulfonylmorpholine-2-carboxamide
CID 94381384
1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
CID 174939125
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
4-(2-aminoacetyl)morpholine-2-carboxamide;hydrochloride
CID 130609413
4-(1,2-dihydroxyethyl)morpholine-2-carboxamide
CID 174387673
2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
CID 170610121

Frequently Asked Questions

What is the IUPAC name of 4-(trideuteriomethyl)morpholine-2-carboxamide?
The IUPAC name of 4-(trideuteriomethyl)morpholine-2-carboxamide (CID 175784003) is 4-(trideuteriomethyl)morpholine-2-carboxamide.
What is the SMILES notation for 4-(trideuteriomethyl)morpholine-2-carboxamide?
The canonical SMILES for 4-(trideuteriomethyl)morpholine-2-carboxamide is [2H]C([2H])([2H])N1CCOC(C(N)=O)C1.
What is the InChIKey of 4-(trideuteriomethyl)morpholine-2-carboxamide?
The InChIKey is VXEXYOOYYPADAL-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-2-3-10-5(4-8)6(7)9/h5H,2-4H2,1H3,(H2,7,9)/i1D3.
What are the key properties of 4-(trideuteriomethyl)morpholine-2-carboxamide?
4-(trideuteriomethyl)morpholine-2-carboxamide has a molecular weight of 147.19 g/mol, XLogP of -1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trideuteriomethyl)morpholine-2-carboxamide is sourced from PubChem (CID 175784003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).