formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

C24H32N2O5 — CID 171316787

IUPACformic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC1(O)CCOC2(CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C1.O=CO
InChIInChI=1S/C23H30N2O3.CH2O2/c1-22(26)11-15-28-23(18-22)9-13-25(14-10-23)16-19-5-7-21(8-6-19)27-17-20-4-2-3-12-24-20;2-1-3/h2-8,12,26H,9-11,13-18H2,1H3;1H,(H,2,3)
InChIKeyJGYSKGIYAIDLKW-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.26
Rot. Bonds5

About formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 171316787) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Nameformic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID171316787
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Nameformic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC1(O)CCOC2(CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C1.O=CO
InChIInChI=1S/C23H30N2O3.CH2O2/c1-22(26)11-15-28-23(18-22)9-13-25(14-10-23)16-19-5-7-21(8-6-19)27-17-20-4-2-3-12-24-20;2-1-3/h2-8,12,26H,9-11,13-18H2,1H3;1H,(H,2,3)
InChIKeyJGYSKGIYAIDLKW-UHFFFAOYSA-N
XLogP3.26
TPSA92.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

9-benzyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916082
4-(4-methylphenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 46965816
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
4-(4-fluorophenyl)-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-ol;hydrochloride
CID 171667363
9-[[2-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916360
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
3-[(4,4-difluoropiperidin-1-yl)methyl]-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 132772030
9-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155824898
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091088
(5S)-3-methyl-7-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95869955
N-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 171316787) is formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is CC1(O)CCOC2(CCN(Cc3ccc(OCc4ccccn4)cc3)CC2)C1.O=CO.
What is the InChIKey of formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is JGYSKGIYAIDLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3.CH2O2/c1-22(26)11-15-28-23(18-22)9-13-25(14-10-23)16-19-5-7-21(8-6-19)27-17-20-4-2-3-12-24-20;2-1-3/h2-8,12,26H,9-11,13-18H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 428.53 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 171316787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).