tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate

C24H29N3O4 — CID 154605153

IUPACtert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3
InChIKeySQQSYCFCXBWWQQ-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.73
Rot. Bonds4

About tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate (PubChem CID 154605153) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate
PubChem CID154605153
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Nametert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1
InChIInChI=1S/C24H29N3O4/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3
InChIKeySQQSYCFCXBWWQQ-UHFFFAOYSA-N
XLogP4.73
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

CID 159252999
CID 159252999
tert-butyl 4-[(2-chloro-5-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624650
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[(2,6-difluoro-4-pyridin-4-ylphenoxy)methyl]piperidine-1-carboxylate
CID 44610578
tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 25103232
tert-butyl 4-[[5-(4-methoxycarbonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 69051857
tert-butyl 4-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24993711
tert-butyl 4-[[2-methoxy-5-(1-oxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 25012754
tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
tert-butyl 4-[[2-(dimethylamino)phenoxy]methyl]piperidine-1-carboxylate
CID 22248451
tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate (CID 154605153) is tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2cc(-c3ccc(O)cc3)cn3cncc23)CC1.
What is the InChIKey of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is SQQSYCFCXBWWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-24(2,3)31-23(29)26-10-8-17(9-11-26)15-30-22-12-19(14-27-16-25-13-21(22)27)18-4-6-20(28)7-5-18/h4-7,12-14,16-17,28H,8-11,15H2,1-3H3.
What are the key properties of tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-yl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 154605153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).