3,3-dideuterio-5,5-dimethoxypiperidin-2-one

C7H13NO3 — CID 10975788

IUPAC3,3-dideuterio-5,5-dimethoxypiperidin-2-one
SMILES[2H]C1([2H])CC(OC)(OC)CNC1=O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)/i3D2
InChIKeyBNDAVPIDNYODPF-SMZGMGDZSA-N
MW161.20 g/mol
LogP-0.11
Rot. Bonds2

About 3,3-dideuterio-5,5-dimethoxypiperidin-2-one

3,3-dideuterio-5,5-dimethoxypiperidin-2-one (PubChem CID 10975788) has the molecular formula C7H13NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3,3-dideuterio-5,5-dimethoxypiperidin-2-one.

Molecular Properties

Compound Name3,3-dideuterio-5,5-dimethoxypiperidin-2-one
PubChem CID10975788
Molecular FormulaC7H13NO3
Molecular Weight161.20 g/mol
Exact Mass161.10
IUPAC Name3,3-dideuterio-5,5-dimethoxypiperidin-2-one
SMILES[2H]C1([2H])CC(OC)(OC)CNC1=O
InChIInChI=1S/C7H13NO3/c1-10-7(11-2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)/i3D2
InChIKeyBNDAVPIDNYODPF-SMZGMGDZSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-2-piperidinone
CID 22996994
5-Methoxypiperidin-2-one
CID 70339624
5-Ethoxy-4-fluoropiperidin-2-one
CID 68275126
3,3-Difluoro-5-methoxypiperidin-2-one
CID 121247090
5,5-Dimethoxypiperidin-2-one
CID 11744906
1,4-Dioxa-7-azaspiro[4.5]decan-8-one
CID 15183539
5-Ethoxypiperidin-2-one
CID 58376444
(5R)-5-methoxypiperidin-2-one
CID 121265348
CID 121265354
CID 121265354
(5S)-5-propan-2-yloxypiperidin-2-one
CID 124171451
(5R)-5-ethoxypiperidin-2-one
CID 135291679
(5R)-5-propan-2-yloxypiperidin-2-one
CID 135291824

Frequently Asked Questions

What is the IUPAC name of 3,3-dideuterio-5,5-dimethoxypiperidin-2-one?
The IUPAC name of 3,3-dideuterio-5,5-dimethoxypiperidin-2-one (CID 10975788) is 3,3-dideuterio-5,5-dimethoxypiperidin-2-one.
What is the SMILES notation for 3,3-dideuterio-5,5-dimethoxypiperidin-2-one?
The canonical SMILES for 3,3-dideuterio-5,5-dimethoxypiperidin-2-one is [2H]C1([2H])CC(OC)(OC)CNC1=O.
What is the InChIKey of 3,3-dideuterio-5,5-dimethoxypiperidin-2-one?
The InChIKey is BNDAVPIDNYODPF-SMZGMGDZSA-N. The full InChI is InChI=1S/C7H13NO3/c1-10-7(11-2)4-3-6(9)8-5-7/h3-5H2,1-2H3,(H,8,9)/i3D2.
What are the key properties of 3,3-dideuterio-5,5-dimethoxypiperidin-2-one?
3,3-dideuterio-5,5-dimethoxypiperidin-2-one has a molecular weight of 161.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dideuterio-5,5-dimethoxypiperidin-2-one is sourced from PubChem (CID 10975788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).