(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C17H22FN3O2 — CID 97396168

IUPAC(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@]2(CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C17H22FN3O2/c1-12(2)20(3)16(22)15-10-17(23-19-15)7-8-21(11-17)14-6-4-5-13(18)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3/t17-/m1/s1
InChIKeyDJYMNYMOVMYLBX-QGZVFWFLSA-N
MW319.38 g/mol
LogP2.42
Rot. Bonds3

About (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97396168) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound Name(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID97396168
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCC(C)N(C)C(=O)C1=NO[C@]2(CCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C17H22FN3O2/c1-12(2)20(3)16(22)15-10-17(23-19-15)7-8-21(11-17)14-6-4-5-13(18)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3/t17-/m1/s1
InChIKeyDJYMNYMOVMYLBX-QGZVFWFLSA-N
XLogP2.42
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-N-methyl-N-propan-2-yl-7-thiophen-2-ylsulfonyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491293
(5R)-7-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491304
(5S)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97449276
(5R)-7-(3-fluorophenyl)sulfonyl-N-(furan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491608
(6R)-8-(3-fluorophenyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97491976
N-(2-phenylpropyl)-7-pyridin-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 131646989
(5S)-7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97491231
7-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134072440
1-(3-fluorophenyl)-4-propan-2-ylpiperidin-4-amine
CID 176647450
4-amino-1-(3-fluorophenyl)piperidine-4-carboxylic acid
CID 117011798
(5R)-9-N-(3-fluorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97491145
N-[(4-fluorophenyl)methyl]-7-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155826788

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97396168) is (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is CC(C)N(C)C(=O)C1=NO[C@]2(CCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is DJYMNYMOVMYLBX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12(2)20(3)16(22)15-10-17(23-19-15)7-8-21(11-17)14-6-4-5-13(18)9-14/h4-6,9,12H,7-8,10-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
(5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3-fluorophenyl)-N-methyl-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97396168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).