propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate

C21H29BrN2O3 — CID 134340523

IUPACpropan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
SMILESCOC1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3cc(Br)cn23)CC1
InChIInChI=1S/C21H29BrN2O3/c1-13(2)27-21(25)19-11-17-10-16(22)12-24(17)20(14(19)3)15(4)23-8-6-18(26-5)7-9-23/h10-13,15,18H,6-9H2,1-5H3
InChIKeyBXXABDNMOZISFI-UHFFFAOYSA-N
MW437.38 g/mol
LogP4.75
Rot. Bonds5

About propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate

propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate (PubChem CID 134340523) has the molecular formula C21H29BrN2O3 and a molecular weight of 437.38 g/mol. Its IUPAC name is propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
PubChem CID134340523
Molecular FormulaC21H29BrN2O3
Molecular Weight437.38 g/mol
Exact Mass436.14
IUPAC Namepropan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
SMILESCOC1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3cc(Br)cn23)CC1
InChIInChI=1S/C21H29BrN2O3/c1-13(2)27-21(25)19-11-17-10-16(22)12-24(17)20(14(19)3)15(4)23-8-6-18(26-5)7-9-23/h10-13,15,18H,6-9H2,1-5H3
InChIKeyBXXABDNMOZISFI-UHFFFAOYSA-N
XLogP4.75
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 138733766
propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
CID 138733367
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
CID 134340981
propan-2-yl 2-bromo-5-[1-(4-cyanopiperidin-1-yl)ethenyl]-6-methylindolizine-7-carboxylate
CID 138733582
ethyl 2-bromo-6-methyl-5-[1-[4-(2,3,3-trifluoropropyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 175336984
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
CID 138733629
propan-2-yl 2-bromo-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethenyl]indolizine-7-carboxylate
CID 138733675
propan-2-yl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 139312147
propan-2-yl 2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylate
CID 174957648
1-(5-acetyl-2-bromo-6-methylindolizin-7-yl)ethanone
CID 142300898
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
CID 157059531
CID 157059531

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate (CID 134340523) is propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate is COC1CCN(C(C)c2c(C)c(C(=O)OC(C)C)cc3cc(Br)cn23)CC1.
What is the InChIKey of propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate?
The InChIKey is BXXABDNMOZISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN2O3/c1-13(2)27-21(25)19-11-17-10-16(22)12-24(17)20(14(19)3)15(4)23-8-6-18(26-5)7-9-23/h10-13,15,18H,6-9H2,1-5H3.
What are the key properties of propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate?
propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate has a molecular weight of 437.38 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate is sourced from PubChem (CID 134340523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).