9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C23H25F3N4O4 — CID 73213027

IUPAC9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CCO2
InChIInChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)
InChIKeyFPFLNFOQNVKAFN-UHFFFAOYSA-N
MW478.47 g/mol
LogP3.45
Rot. Bonds4

About 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 73213027) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound Name9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID73213027
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Cc1ccccn1)N1CCC2(CC1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CCO2
InChIInChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32)
InChIKeyFPFLNFOQNVKAFN-UHFFFAOYSA-N
XLogP3.45
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-chloropyridine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679346
9-(5-methylpyrazine-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212940
1-(((Pyridin-2-yl)acetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44469062
1-(4-Methoxy-phenyl)-5,5-bis-(2-pyridin-4-yl-ethyl)-pyrimidine-2,4,6-trione
CID 2918590
N-(4-methoxyphenyl)-3-{3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl}piperidine-1-carboxamide
CID 16192027
N-[4-[1-(3,3,3-trifluoropropanoyl)piperidin-3-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510877
N-[4-[1-(oxane-2-carbonyl)piperidin-3-yl]oxyphenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510886
1-(4-Ethoxyphenyl)-3-[3-(morpholin-4-YL)propyl]-3-[(pyridin-3-YL)methyl]urea
CID 6624417
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 75306073
N-[3-[2-oxo-2-[4-[[4-(trifluoromethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]ethyl]phenyl]-2-pyridin-2-ylacetamide
CID 178316936
1-(4-Ethoxyphenyl)-5,5-bis(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 2906437
1'-[1-(2-Pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one
CID 134793087

Frequently Asked Questions

What is the IUPAC name of 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 73213027) is 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is O=C(Cc1ccccn1)N1CCC2(CC1)CN(C(=O)Nc1ccc(OC(F)(F)F)cc1)CCO2.
What is the InChIKey of 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is FPFLNFOQNVKAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c24-23(25,26)34-19-6-4-17(5-7-19)28-21(32)30-13-14-33-22(16-30)8-11-29(12-9-22)20(31)15-18-3-1-2-10-27-18/h1-7,10H,8-9,11-16H2,(H,28,32).
What are the key properties of 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 73213027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).