N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

C21H28N2O5 — CID 131930942

IUPACN-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C1CC(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H28N2O5/c24-18-12-17(21(28-18)7-2-1-3-8-21)20(26)23-9-4-15(5-10-23)13-22-19(25)16-6-11-27-14-16/h6,11,14-15,17H,1-5,7-10,12-13H2,(H,22,25)
InChIKeyMSGYIOJIAOAEQQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP2.51
Rot. Bonds4

About N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide

N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 131930942) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID131930942
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC NameN-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide
SMILESO=C1CC(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)C2(CCCCC2)O1
InChIInChI=1S/C21H28N2O5/c24-18-12-17(21(28-18)7-2-1-3-8-21)20(26)23-9-4-15(5-10-23)13-22-19(25)16-6-11-27-14-16/h6,11,14-15,17H,1-5,7-10,12-13H2,(H,22,25)
InChIKeyMSGYIOJIAOAEQQ-UHFFFAOYSA-N
XLogP2.51
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide with MolForge

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Related Compounds

4-[(furan-3-carbonylamino)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 119103267
(4R)-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 97116586
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436
4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.4]nonan-2-one
CID 70732695
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]furan-3-carboxamide
CID 131921279
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 90521763
4-(4-ethylsulfonylpiperazine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 131933192
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 40520371
(4S)-4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 125160296
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 137242292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide (CID 131930942) is N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is O=C1CC(C(=O)N2CCC(CNC(=O)c3ccoc3)CC2)C2(CCCCC2)O1.
What is the InChIKey of N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is MSGYIOJIAOAEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c24-18-12-17(21(28-18)7-2-1-3-8-21)20(26)23-9-4-15(5-10-23)13-22-19(25)16-6-11-27-14-16/h6,11,14-15,17H,1-5,7-10,12-13H2,(H,22,25).
What are the key properties of N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131930942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).