methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate

C19H25N3O4 — CID 163358421

IUPACmethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate
SMILESCOC(=O)c1ccc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2c1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(24)21-11-9-20(10-12-21)16-8-7-15-6-5-14(13-22(15)16)17(23)25-4/h5-8,13H,9-12H2,1-4H3
InChIKeyGYWFWYRBQLMDLZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.78
Rot. Bonds2

About methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate

methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate (PubChem CID 163358421) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate
PubChem CID163358421
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate
SMILESCOC(=O)c1ccc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2c1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(24)21-11-9-20(10-12-21)16-8-7-15-6-5-14(13-22(15)16)17(23)25-4/h5-8,13H,9-12H2,1-4H3
InChIKeyGYWFWYRBQLMDLZ-UHFFFAOYSA-N
XLogP2.78
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 4-[(4-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 47039906
tert-butyl 4-[(4-methoxycarbonylphenyl)-methylcarbamoyl]piperazine-1-carboxylate;ethane
CID 144914031
tert-butyl 4-(4-methoxycarbonyl-2-nitrophenyl)piperazine-1-carboxylate
CID 66598073
tert-butyl 4-(4-carbonochloridoylphenyl)piperazine-1-carboxylate
CID 57439881
tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
tert-butyl 4-(6-chloro-4-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229586
tert-butyl 4-(3-chloro-5-methoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 67401100
tert-butyl 3-(4-methoxycarbonylphenyl)azetidine-1-carboxylate
CID 59452083
tert-butyl 4-[4-(4-methoxycarbonylphenyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 139989206
tert-butyl 4-(5-methoxycarbonyl-3-trimethylsilyl-2-pyridinyl)piperazine-1-carboxylate
CID 70861209

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate?
The IUPAC name of methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate (CID 163358421) is methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate.
What is the SMILES notation for methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate?
The canonical SMILES for methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate is COC(=O)c1ccc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)n2c1.
What is the InChIKey of methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate?
The InChIKey is GYWFWYRBQLMDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(2,3)26-18(24)21-11-9-20(10-12-21)16-8-7-15-6-5-14(13-22(15)16)17(23)25-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate?
methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indolizine-6-carboxylate is sourced from PubChem (CID 163358421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).