N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C20H27FN2O2 — CID 71868397

IUPACN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-4-2-16(3-5-17)20(6-1-7-20)14-22-18(24)23-11-8-19(15-23)9-12-25-13-10-19/h2-5H,1,6-15H2,(H,22,24)
InChIKeyZLQMCAICNIRMOY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.46
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 71868397) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID71868397
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H27FN2O2/c21-17-4-2-16(3-5-17)20(6-1-7-20)14-22-18(24)23-11-8-19(15-23)9-12-25-13-10-19/h2-5H,1,6-15H2,(H,22,24)
InChIKeyZLQMCAICNIRMOY-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 71868397) is N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1(c2ccc(F)cc2)CCC1)N1CCC2(CCOCC2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZLQMCAICNIRMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-4-2-16(3-5-17)20(6-1-7-20)14-22-18(24)23-11-8-19(15-23)9-12-25-13-10-19/h2-5H,1,6-15H2,(H,22,24).
What are the key properties of N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 71868397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).