8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide

C23H32F2N4O2 — CID 123486960

IUPAC8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESNC1CC(N2CCC3(CCN(C(=O)NC4CC4)C3)CC2)COC1c1cc(F)ccc1F
InChIInChI=1S/C23H32F2N4O2/c24-15-1-4-19(25)18(11-15)21-20(26)12-17(13-31-21)28-8-5-23(6-9-28)7-10-29(14-23)22(30)27-16-2-3-16/h1,4,11,16-17,20-21H,2-3,5-10,12-14,26H2,(H,27,30)
InChIKeySNEIJKDNOQMREO-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.78
Rot. Bonds3

About 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide

8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 123486960) has the molecular formula C23H32F2N4O2 and a molecular weight of 434.53 g/mol. Its IUPAC name is 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID123486960
Molecular FormulaC23H32F2N4O2
Molecular Weight434.53 g/mol
Exact Mass434.25
IUPAC Name8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESNC1CC(N2CCC3(CCN(C(=O)NC4CC4)C3)CC2)COC1c1cc(F)ccc1F
InChIInChI=1S/C23H32F2N4O2/c24-15-1-4-19(25)18(11-15)21-20(26)12-17(13-31-21)28-8-5-23(6-9-28)7-10-29(14-23)22(30)27-16-2-3-16/h1,4,11,16-17,20-21H,2-3,5-10,12-14,26H2,(H,27,30)
InChIKeySNEIJKDNOQMREO-UHFFFAOYSA-N
XLogP2.78
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 123332647
[2-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-2,8-diazaspiro[4.5]decan-8-yl]-cyclopropylmethanone
CID 123266484
1-[2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-cyclopropylurea
CID 118340970
(5R)-5-(8-cyclopropylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 90102450
5-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2,5-difluorophenyl)oxan-3-amine
CID 123814211
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)oxan-3-amine
CID 175986959
N-[2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-2-cyclopropylpropanamide
CID 90127932
methyl 2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 90127796
[6-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3,6-diazabicyclo[3.2.0]heptan-3-yl]-cyclopropylmethanone
CID 123183907
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)oxan-3-amine
CID 90127826
1-[2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-methylpropan-1-one
CID 90127834
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)oxan-3-amine
CID 90127802

Frequently Asked Questions

What is the IUPAC name of 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 123486960) is 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide is NC1CC(N2CCC3(CCN(C(=O)NC4CC4)C3)CC2)COC1c1cc(F)ccc1F.
What is the InChIKey of 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is SNEIJKDNOQMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2N4O2/c24-15-1-4-19(25)18(11-15)21-20(26)12-17(13-31-21)28-8-5-23(6-9-28)7-10-29(14-23)22(30)27-16-2-3-16/h1,4,11,16-17,20-21H,2-3,5-10,12-14,26H2,(H,27,30).
What are the key properties of 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-N-cyclopropyl-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 123486960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).