tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate

C28H38N4O3 — CID 59843328

IUPACtert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccccc1-c1cn2cc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)cc(C)c2n1
InChIInChI=1S/C28H38N4O3/c1-20-17-22(18-32-19-24(29-26(20)32)23-9-7-8-10-25(23)34-6)21-11-13-31(14-12-21)16-15-30(5)27(33)35-28(2,3)4/h7-10,17-19,21H,11-16H2,1-6H3
InChIKeyHPYPQDLZPMQOBP-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.36
Rot. Bonds6

About tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate (PubChem CID 59843328) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
PubChem CID59843328
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Nametert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccccc1-c1cn2cc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)cc(C)c2n1
InChIInChI=1S/C28H38N4O3/c1-20-17-22(18-32-19-24(29-26(20)32)23-9-7-8-10-25(23)34-6)21-11-13-31(14-12-21)16-15-30(5)27(33)35-28(2,3)4/h7-10,17-19,21H,11-16H2,1-6H3
InChIKeyHPYPQDLZPMQOBP-UHFFFAOYSA-N
XLogP5.36
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 146659124
CID 146659124
CID 694963
CID 694963
CID 2876085
CID 2876085
CID 5329342
CID 5329342
CID 134179257
CID 134179257
CID 134179269
CID 134179269
CID 134179283
CID 134179283
CID 134179286
CID 134179286
CID 134179296
CID 134179296
CID 134179301
CID 134179301
CID 134179604
CID 134179604
CID 134179850
CID 134179850

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate (CID 59843328) is tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate is COc1ccccc1-c1cn2cc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)cc(C)c2n1.
What is the InChIKey of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is HPYPQDLZPMQOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-20-17-22(18-32-19-24(29-26(20)32)23-9-7-8-10-25(23)34-6)21-11-13-31(14-12-21)16-15-30(5)27(33)35-28(2,3)4/h7-10,17-19,21H,11-16H2,1-6H3.
What are the key properties of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 478.64 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 59843328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).