(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H26N2O4 — CID 97142794

IUPAC(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1occc1C(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C19H26N2O4/c1-14-16(5-12-25-14)17(22)20-9-7-19(13-20)6-2-8-21(18(19)23)15-3-10-24-11-4-15/h5,12,15H,2-4,6-11,13H2,1H3/t19-/m0/s1
InChIKeySPDLELCGUPJSCH-IBGZPJMESA-N
MW346.43 g/mol
LogP2.22
Rot. Bonds2

About (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97142794) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97142794
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1occc1C(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C19H26N2O4/c1-14-16(5-12-25-14)17(22)20-9-7-19(13-20)6-2-8-21(18(19)23)15-3-10-24-11-4-15/h5,12,15H,2-4,6-11,13H2,1H3/t19-/m0/s1
InChIKeySPDLELCGUPJSCH-IBGZPJMESA-N
XLogP2.22
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72841848
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600
2-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72870949
(5S)-2-(5-ethyl-1H-pyrrole-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127244
(5S)-2-(5-methyl-2H-triazole-4-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127372
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142
(2-methylfuran-3-yl)-[2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 118743905
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
7-cyclopentyl-2-(4-fluoro-2-methylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72939478
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97139032

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97142794) is (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1occc1C(=O)N1CC[C@@]2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SPDLELCGUPJSCH-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-16(5-12-25-14)17(22)20-9-7-19(13-20)6-2-8-21(18(19)23)15-3-10-24-11-4-15/h5,12,15H,2-4,6-11,13H2,1H3/t19-/m0/s1.
What are the key properties of (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.43 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97142794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).