(1-carbamoylpiperidin-4-yl) nitrate

C6H11N3O4 — CID 15068855

IUPAC(1-carbamoylpiperidin-4-yl) nitrate
SMILESNC(=O)N1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C6H11N3O4/c7-6(10)8-3-1-5(2-4-8)13-9(11)12/h5H,1-4H2,(H2,7,10)
InChIKeySJXKCHFMUILUJN-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.26
Rot. Bonds2

About (1-carbamoylpiperidin-4-yl) nitrate

(1-carbamoylpiperidin-4-yl) nitrate (PubChem CID 15068855) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (1-carbamoylpiperidin-4-yl) nitrate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-4-yl) nitrate
PubChem CID15068855
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(1-carbamoylpiperidin-4-yl) nitrate
SMILESNC(=O)N1CCC(O[N+](=O)[O-])CC1
InChIInChI=1S/C6H11N3O4/c7-6(10)8-3-1-5(2-4-8)13-9(11)12/h5H,1-4H2,(H2,7,10)
InChIKeySJXKCHFMUILUJN-UHFFFAOYSA-N
XLogP-0.26
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (1-carbamoylpiperidin-4-yl) nitrate?
The IUPAC name of (1-carbamoylpiperidin-4-yl) nitrate (CID 15068855) is (1-carbamoylpiperidin-4-yl) nitrate.
What is the SMILES notation for (1-carbamoylpiperidin-4-yl) nitrate?
The canonical SMILES for (1-carbamoylpiperidin-4-yl) nitrate is NC(=O)N1CCC(O[N+](=O)[O-])CC1.
What is the InChIKey of (1-carbamoylpiperidin-4-yl) nitrate?
The InChIKey is SJXKCHFMUILUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-6(10)8-3-1-5(2-4-8)13-9(11)12/h5H,1-4H2,(H2,7,10).
What are the key properties of (1-carbamoylpiperidin-4-yl) nitrate?
(1-carbamoylpiperidin-4-yl) nitrate has a molecular weight of 189.17 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-4-yl) nitrate is sourced from PubChem (CID 15068855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).