ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol

C17H28N4O4 — CID 156652399

IUPACethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESCC.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1
InChIInChI=1S/C15H22N4O4.C2H6/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;1-2/h2-3,10,20H,1,4-9,11-12H2;1-2H3
InChIKeyUFQFFXOYFBFTQW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.68
Rot. Bonds4

About ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol

ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol (PubChem CID 156652399) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Nameethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
PubChem CID156652399
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nameethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol
SMILESCC.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1
InChIInChI=1S/C15H22N4O4.C2H6/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;1-2/h2-3,10,20H,1,4-9,11-12H2;1-2H3
InChIKeyUFQFFXOYFBFTQW-UHFFFAOYSA-N
XLogP1.68
TPSA91.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The IUPAC name of ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol (CID 156652399) is ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol is CC.O=[N+]([O-])c1ccc(N2CCCC(O)(CN3CCOCC3)C2)cn1.
What is the InChIKey of ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
The InChIKey is UFQFFXOYFBFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4.C2H6/c20-15(11-17-6-8-23-9-7-17)4-1-5-18(12-15)13-2-3-14(16-10-13)19(21)22;1-2/h2-3,10,20H,1,4-9,11-12H2;1-2H3.
What are the key properties of ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol?
ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol has a molecular weight of 352.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(morpholin-4-ylmethyl)-1-(6-nitro-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 156652399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).