(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone

C18H25N3O6 — CID 155550936

IUPAC(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C18H25N3O6/c22-17(15-1-2-16(27-15)21(23)24)20-6-4-18(5-7-20)13-14(3-10-26-18)19-8-11-25-12-9-19/h1-2,14H,3-13H2
InChIKeySZFGDESEYGUWKP-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.67
Rot. Bonds3

About (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone

(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone (PubChem CID 155550936) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone
PubChem CID155550936
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)CC(N1CCOCC1)CCO2
InChIInChI=1S/C18H25N3O6/c22-17(15-1-2-16(27-15)21(23)24)20-6-4-18(5-7-20)13-14(3-10-26-18)19-8-11-25-12-9-19/h1-2,14H,3-13H2
InChIKeySZFGDESEYGUWKP-UHFFFAOYSA-N
XLogP1.67
TPSA98.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
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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Related Compounds

(5-nitrofuran-2-yl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 155534176
3-chloro-4-fluoro-N-[9-(5-nitrofuran-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]benzenesulfonamide
CID 155569708
[4-methyl-4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 115304279
[4-(methylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 119560801
azocan-1-yl-(5-nitrofuran-2-yl)methanone
CID 3312856
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-nitrofuran-2-yl)methanone
CID 81485588
2-[1-(5-nitrofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980622
(4-fluorophenyl)-(3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 131659617
N-benzyl-1-(5-nitrofuran-2-carbonyl)piperidine-4-carboxamide
CID 33097638
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone?
The IUPAC name of (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone (CID 155550936) is (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)CC(N1CCOCC1)CCO2.
What is the InChIKey of (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone?
The InChIKey is SZFGDESEYGUWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c22-17(15-1-2-16(27-15)21(23)24)20-6-4-18(5-7-20)13-14(3-10-26-18)19-8-11-25-12-9-19/h1-2,14H,3-13H2.
What are the key properties of (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone?
(4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone has a molecular weight of 379.41 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(5-nitrofuran-2-yl)methanone is sourced from PubChem (CID 155550936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).