methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate

C21H27N3O5 — CID 4586707

IUPACmethyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(N3CC4(CCCCC4)OC3=O)CC2)nc1
InChIInChI=1S/C21H27N3O5/c1-28-19(26)15-5-6-17(22-13-15)18(25)23-11-7-16(8-12-23)24-14-21(29-20(24)27)9-3-2-4-10-21/h5-6,13,16H,2-4,7-12,14H2,1H3
InChIKeyDWVBYXWVVAVLOO-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.63
Rot. Bonds3

About methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate

methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate (PubChem CID 4586707) has the molecular formula C21H27N3O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
PubChem CID4586707
Molecular FormulaC21H27N3O5
Molecular Weight401.46 g/mol
Exact Mass401.20
IUPAC Namemethyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(N3CC4(CCCCC4)OC3=O)CC2)nc1
InChIInChI=1S/C21H27N3O5/c1-28-19(26)15-5-6-17(22-13-15)18(25)23-11-7-16(8-12-23)24-14-21(29-20(24)27)9-3-2-4-10-21/h5-6,13,16H,2-4,7-12,14H2,1H3
InChIKeyDWVBYXWVVAVLOO-UHFFFAOYSA-N
XLogP2.63
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3834044
3-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 5181192
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
methyl 6-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 3771364
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586
[2-oxo-2-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidin-1-yl]ethyl] N,N-dimethylcarbamodithioate
CID 3759463
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
CID 163307577
methyl 6-(2-cyclohexyl-1-oxo-2,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylate
CID 143229607
3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3534413
formic acid;methyl 6-[(1R,5R,6S,7S)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3-carbonyl]pyridine-3-carboxylate
CID 171317280

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate (CID 4586707) is methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CCC(N3CC4(CCCCC4)OC3=O)CC2)nc1.
What is the InChIKey of methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
The InChIKey is DWVBYXWVVAVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5/c1-28-19(26)15-5-6-17(22-13-15)18(25)23-11-7-16(8-12-23)24-14-21(29-20(24)27)9-3-2-4-10-21/h5-6,13,16H,2-4,7-12,14H2,1H3.
What are the key properties of methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate?
methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-oxo-1-oxa-3-azaspiro[4.5]decan-3-yl)piperidine-1-carbonyl]pyridine-3-carboxylate is sourced from PubChem (CID 4586707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).