ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate

C18H32N2O3 — CID 175699112

IUPACethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2CNCC3(CC3)O2)CC1C(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-5-22-16(21)20-9-6-13(10-15(20)17(2,3)4)14-11-19-12-18(23-14)7-8-18/h13-15,19H,5-12H2,1-4H3
InChIKeyGNAGCOPXMWRSGA-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.79
Rot. Bonds2

About ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate

ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate (PubChem CID 175699112) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
PubChem CID175699112
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nameethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2CNCC3(CC3)O2)CC1C(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-5-22-16(21)20-9-6-13(10-15(20)17(2,3)4)14-11-19-12-18(23-14)7-8-18/h13-15,19H,5-12H2,1-4H3
InChIKeyGNAGCOPXMWRSGA-UHFFFAOYSA-N
XLogP2.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The IUPAC name of ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate (CID 175699112) is ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C2CNCC3(CC3)O2)CC1C(C)(C)C.
What is the InChIKey of ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The InChIKey is GNAGCOPXMWRSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-5-22-16(21)20-9-6-13(10-15(20)17(2,3)4)14-11-19-12-18(23-14)7-8-18/h13-15,19H,5-12H2,1-4H3.
What are the key properties of ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175699112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).