[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C21H28N4O4 — CID 92866290

IUPAC[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1oc2ncnc(N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)c2c1C
InChIInChI=1S/C21H28N4O4/c1-14-15(2)29-19-17(14)18(22-13-23-19)25-7-3-4-16(12-25)20(26)24-8-5-21(6-9-24)27-10-11-28-21/h13,16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeyUQCRJWVNPSRZOV-INIZCTEOSA-N
MW400.48 g/mol
LogP2.42
Rot. Bonds2

About [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 92866290) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID92866290
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1oc2ncnc(N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)c2c1C
InChIInChI=1S/C21H28N4O4/c1-14-15(2)29-19-17(14)18(22-13-23-19)25-7-3-4-16(12-25)20(26)24-8-5-21(6-9-24)27-10-11-28-21/h13,16H,3-12H2,1-2H3/t16-/m0/s1
InChIKeyUQCRJWVNPSRZOV-INIZCTEOSA-N
XLogP2.42
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

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Related Compounds

(3S)-N-cyclooctyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866194
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 92866265
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 92866258
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 46472494
(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92866288
(3R)-N-[(4-chlorophenyl)methyl]-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866185
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 46290089
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 92866359
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92866341
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20920543
(3R)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 92866163

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 92866290) is [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1oc2ncnc(N3CCC[C@H](C(=O)N4CCC5(CC4)OCCO5)C3)c2c1C.
What is the InChIKey of [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is UQCRJWVNPSRZOV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-15(2)29-19-17(14)18(22-13-23-19)25-7-3-4-16(12-25)20(26)24-8-5-21(6-9-24)27-10-11-28-21/h13,16H,3-12H2,1-2H3/t16-/m0/s1.
What are the key properties of [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
[(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 400.48 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 92866290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).