(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone

C16H21N3O4 — CID 2935629

IUPAC(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-6-2-1-3-7-18)13-4-5-14(15(12-13)19(21)22)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2
InChIKeyZUTKZDOICCGDEK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.06
Rot. Bonds3

About (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone

(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone (PubChem CID 2935629) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone
PubChem CID2935629
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCCC1
InChIInChI=1S/C16H21N3O4/c20-16(18-6-2-1-3-7-18)13-4-5-14(15(12-13)19(21)22)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2
InChIKeyZUTKZDOICCGDEK-UHFFFAOYSA-N
XLogP2.06
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone (CID 2935629) is (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone is O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCCC1.
What is the InChIKey of (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone?
The InChIKey is ZUTKZDOICCGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-16(18-6-2-1-3-7-18)13-4-5-14(15(12-13)19(21)22)17-8-10-23-11-9-17/h4-5,12H,1-3,6-11H2.
What are the key properties of (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone?
(4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone has a molecular weight of 319.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-3-nitrophenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 2935629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).