[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone

C24H36F2N4O3 — CID 176759522

IUPAC[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CCN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)CC1
InChIInChI=1S/C24H36F2N4O3/c1-16(2)23(21-28-19(33-29-21)17-3-7-24(25,26)8-4-17)9-12-30(13-10-23)20(31)18-5-6-22(15-27-18)11-14-32-22/h16-18,27H,3-15H2,1-2H3/t18-,22+/m0/s1
InChIKeyZVQIDYCBCKQVJK-PGRDOPGGSA-N
MW466.57 g/mol
LogP3.79
Rot. Bonds4

About [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone

[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 176759522) has the molecular formula C24H36F2N4O3 and a molecular weight of 466.57 g/mol. Its IUPAC name is [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID176759522
Molecular FormulaC24H36F2N4O3
Molecular Weight466.57 g/mol
Exact Mass466.28
IUPAC Name[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CCN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)CC1
InChIInChI=1S/C24H36F2N4O3/c1-16(2)23(21-28-19(33-29-21)17-3-7-24(25,26)8-4-17)9-12-30(13-10-23)20(31)18-5-6-22(15-27-18)11-14-32-22/h16-18,27H,3-15H2,1-2H3/t18-,22+/m0/s1
InChIKeyZVQIDYCBCKQVJK-PGRDOPGGSA-N
XLogP3.79
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone (CID 176759522) is [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone is CC(C)C1(c2noc(C3CCC(F)(F)CC3)n2)CCN(C(=O)[C@@H]2CC[C@@]3(CCO3)CN2)CC1.
What is the InChIKey of [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is ZVQIDYCBCKQVJK-PGRDOPGGSA-N. The full InChI is InChI=1S/C24H36F2N4O3/c1-16(2)23(21-28-19(33-29-21)17-3-7-24(25,26)8-4-17)9-12-30(13-10-23)20(31)18-5-6-22(15-27-18)11-14-32-22/h16-18,27H,3-15H2,1-2H3/t18-,22+/m0/s1.
What are the key properties of [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone?
[4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 466.57 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylpiperidin-1-yl]-[(4R,7S)-1-oxa-8-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 176759522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).