N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide

C23H26F3N3O2 — CID 42170931

IUPACN-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1
InChIInChI=1S/C23H26F3N3O2/c24-17-10-20(25)19(21(26)11-17)12-22(30)28-14-18-3-4-23(31-18)5-8-29(9-6-23)15-16-2-1-7-27-13-16/h1-2,7,10-11,13,18H,3-6,8-9,12,14-15H2,(H,28,30)/t18-/m0/s1
InChIKeyBVJOFNXSCCJNEH-SFHVURJKSA-N
MW433.47 g/mol
LogP3.37
Rot. Bonds6

About N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide

N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide (PubChem CID 42170931) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide
PubChem CID42170931
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide
SMILESO=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1
InChIInChI=1S/C23H26F3N3O2/c24-17-10-20(25)19(21(26)11-17)12-22(30)28-14-18-3-4-23(31-18)5-8-29(9-6-23)15-16-2-1-7-27-13-16/h1-2,7,10-11,13,18H,3-6,8-9,12,14-15H2,(H,28,30)/t18-/m0/s1
InChIKeyBVJOFNXSCCJNEH-SFHVURJKSA-N
XLogP3.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
2-(1-methylpyrrol-3-yl)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126464957
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
2-(2-methyl-1,3-thiazol-4-yl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42405573
N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 126462517
2-(4-acetylphenoxy)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56852445
3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 125160929
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
N-[[8-[(2,6-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45198123
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide?
The IUPAC name of N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide (CID 42170931) is N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide.
What is the SMILES notation for N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide?
The canonical SMILES for N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide is O=C(Cc1c(F)cc(F)cc1F)NC[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1.
What is the InChIKey of N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide?
The InChIKey is BVJOFNXSCCJNEH-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c24-17-10-20(25)19(21(26)11-17)12-22(30)28-14-18-3-4-23(31-18)5-8-29(9-6-23)15-16-2-1-7-27-13-16/h1-2,7,10-11,13,18H,3-6,8-9,12,14-15H2,(H,28,30)/t18-/m0/s1.
What are the key properties of N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide?
N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide has a molecular weight of 433.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,4,6-trifluorophenyl)acetamide is sourced from PubChem (CID 42170931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).