(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate

C10H18N3O5- — CID 10220848

IUPAC(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate
SMILESCC1(C)CC(O[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O-]
InChIInChI=1S/C10H18N3O5/c1-9(2)5-6(18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14)/q-1
InChIKeyQTIFJJSOCPRHCT-UHFFFAOYSA-N
MW260.27 g/mol
LogP0.43
Rot. Bonds3

About (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate

(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate (PubChem CID 10220848) has the molecular formula C10H18N3O5- and a molecular weight of 260.27 g/mol. Its IUPAC name is (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate.

Molecular Properties

Compound Name(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate
PubChem CID10220848
Molecular FormulaC10H18N3O5-
Molecular Weight260.27 g/mol
Exact Mass260.13
IUPAC Name(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate
SMILESCC1(C)CC(O[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O-]
InChIInChI=1S/C10H18N3O5/c1-9(2)5-6(18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14)/q-1
InChIKeyQTIFJJSOCPRHCT-UHFFFAOYSA-N
XLogP0.43
TPSA121.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl) nitrate
CID 10220847
(2,2,6,6-tetramethyl-3,4-dinitrooxypiperidin-1-yl) propanoate
CID 85469903
(3S)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylic acid
CID 45038575
[(1R,2R,4S)-4-carbamoyl-2-methoxycyclopentyl] nitrate
CID 67399133
(4-nitrophenyl) 2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylate
CID 15859404
(2,2,5,5-tetramethyl-3-nitrooxypyrrolidin-1-yl) acetate
CID 85469840
3-methoxy-1-methyl-4-nitrooxycyclopentane-1-carboxylic acid
CID 67396924
CID 53356909
CID 53356909
(4-methyl-2-nitrooxycyclopentyl) nitrate
CID 143811821
(2-nitrooxycyclopentyl) nitrate
CID 90699417
bis(acetyloxymethyl) (3R,4R)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3,4-dicarboxylate
CID 11964456
[(1R,2R)-2-nitrooxy-4-propan-2-ylcyclopentyl] nitrate
CID 88572064

Frequently Asked Questions

What is the IUPAC name of (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate?
The IUPAC name of (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate (CID 10220848) is (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate.
What is the SMILES notation for (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate?
The canonical SMILES for (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate is CC1(C)CC(O[N+](=O)[O-])C(C(N)=O)C(C)(C)N1[O-].
What is the InChIKey of (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate?
The InChIKey is QTIFJJSOCPRHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O5/c1-9(2)5-6(18-13(16)17)7(8(11)14)10(3,4)12(9)15/h6-7H,5H2,1-4H3,(H2,11,14)/q-1.
What are the key properties of (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate?
(3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate has a molecular weight of 260.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyl-2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) nitrate is sourced from PubChem (CID 10220848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).