(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

C16H22N2O3 — CID 125215989

IUPAC(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccc(C)o1)C2
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(21-11)15(20)18-9-8-16(10-18)7-3-4-12(16)14(19)17-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19)/t12-,16+/m0/s1
InChIKeyPIGXTRFPHDVTGG-BLLLJJGKSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds2

About (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide

(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (PubChem CID 125215989) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.

Molecular Properties

Compound Name(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
PubChem CID125215989
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
SMILESCNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccc(C)o1)C2
InChIInChI=1S/C16H22N2O3/c1-11-5-6-13(21-11)15(20)18-9-8-16(10-18)7-3-4-12(16)14(19)17-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19)/t12-,16+/m0/s1
InChIKeyPIGXTRFPHDVTGG-BLLLJJGKSA-N
XLogP1.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,9S)-2-(furan-2-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896788
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(5S,9S)-N-methyl-2-(4-methylpyridine-3-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895593
(5S,9S)-2-(5-fluoropyridine-3-carbonyl)-N-methyl-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896792
3-amino-1-(5-methylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107323265
(2R,3S)-N-methyl-5-(1,2-oxazole-5-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492507
N-[2-(5-methylfuran-2-carbonyl)-7-oxa-2-azaspiro[4.5]decan-10-yl]benzamide
CID 155871713
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
(4-bromopiperidin-1-yl)-(5-methylfuran-2-yl)methanone
CID 80661568
N-[(3S)-7-(5-methylfuran-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374923
[3-(methylamino)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 81466961
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The IUPAC name of (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide (CID 125215989) is (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide.
What is the SMILES notation for (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The canonical SMILES for (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccc(C)o1)C2.
What is the InChIKey of (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
The InChIKey is PIGXTRFPHDVTGG-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-5-6-13(21-11)15(20)18-9-8-16(10-18)7-3-4-12(16)14(19)17-2/h5-6,12H,3-4,7-10H2,1-2H3,(H,17,19)/t12-,16+/m0/s1.
What are the key properties of (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide?
(5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-N-methyl-2-(5-methylfuran-2-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide is sourced from PubChem (CID 125215989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).