methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate

C19H31NO4 — CID 136520417

IUPACmethyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCOC3(CCCCCC3)C2)CC1
InChIInChI=1S/C19H31NO4/c1-23-18(22)16-8-6-15(7-9-16)17(21)20-12-13-24-19(14-20)10-4-2-3-5-11-19/h15-16H,2-14H2,1H3
InChIKeyBWSHAHYPEZPZQG-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.92
Rot. Bonds2

About methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate

methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate (PubChem CID 136520417) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate
PubChem CID136520417
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Namemethyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)N2CCOC3(CCCCCC3)C2)CC1
InChIInChI=1S/C19H31NO4/c1-23-18(22)16-8-6-15(7-9-16)17(21)20-12-13-24-19(14-20)10-4-2-3-5-11-19/h15-16H,2-14H2,1H3
InChIKeyBWSHAHYPEZPZQG-UHFFFAOYSA-N
XLogP2.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate (CID 136520417) is methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)N2CCOC3(CCCCCC3)C2)CC1.
What is the InChIKey of methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate?
The InChIKey is BWSHAHYPEZPZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-23-18(22)16-8-6-15(7-9-16)17(21)20-12-13-24-19(14-20)10-4-2-3-5-11-19/h15-16H,2-14H2,1H3.
What are the key properties of methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate?
methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 136520417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).