(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

C18H26FN3O2 — CID 97491976

IUPAC(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O2/c1-14(2)20-17(23)22-9-10-24-18(13-22)7-4-8-21(12-18)16-6-3-5-15(19)11-16/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyLXFVTWVCDPENGR-GOSISDBHSA-N
MW335.42 g/mol
LogP2.61
Rot. Bonds2

About (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide

(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 97491976) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID97491976
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C18H26FN3O2/c1-14(2)20-17(23)22-9-10-24-18(13-22)7-4-8-21(12-18)16-6-3-5-15(19)11-16/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,20,23)/t18-/m1/s1
InChIKeyLXFVTWVCDPENGR-GOSISDBHSA-N
XLogP2.61
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyridazin-4-ylmethanone
CID 134074046
(6R)-8-(3-fluoro-2-pyridinyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492112
(6R)-N-propan-2-yl-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97492184
[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazolidin-3-ylmethanone
CID 134077803
8-(3-cyanophenyl)-N,N-dimethyl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 131650245
(6S)-8-(3-fluorophenyl)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372362
8-(3-fluorophenyl)-4-(pyridin-4-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747256
N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 118739092
11-(3-cyanophenyl)-N-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 131656391
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752
N-[1-(2,3-difluorophenyl)ethyl]-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 126767564

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide (CID 97491976) is (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is CC(C)NC(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is LXFVTWVCDPENGR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(2)20-17(23)22-9-10-24-18(13-22)7-4-8-21(12-18)16-6-3-5-15(19)11-16/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide?
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 97491976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).