tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate

C18H27N3O4 — CID 177246071

IUPACtert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C18H27N3O4/c1-6-24-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)25-18(3,4)5/h7-8H,6,9-12H2,1-5H3
InChIKeyWQCVPVGIMCTNDC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.62
Rot. Bonds3

About tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate

tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate (PubChem CID 177246071) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
PubChem CID177246071
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
SMILESCCOC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1
InChIInChI=1S/C18H27N3O4/c1-6-24-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)25-18(3,4)5/h7-8H,6,9-12H2,1-5H3
InChIKeyWQCVPVGIMCTNDC-UHFFFAOYSA-N
XLogP2.62
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 177246070
tert-butyl 4-[6-(cyclopropylcarbamoyl)-2-methyl-3-pyridinyl]piperazine-1-carboxylate
CID 168957204
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 53418800
tert-butyl 4-(6-chloro-3-ethoxycarbonyl-2-pyridinyl)piperazine-1-carboxylate
CID 58229542
ethyl 4-methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 46739184
diethyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]pyridine-2,6-dicarboxylate
CID 67475269
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)-2-fluorophenyl]piperazine-1-carboxylate
CID 171598712
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435
tert-butyl 4-(3-ethoxycarbonyl-1-methylpyrazole-5-carbonyl)piperazine-1-carboxylate
CID 168882269
tert-butyl 4-[4-ethoxycarbonyl-5-(1-hydroxyethyl)-1H-imidazol-2-yl]piperazine-1-carboxylate
CID 70859855
tert-butyl 4-(6-ethoxycarbonyl-3-methyl-2-pyridinyl)-2,2-dimethylpiperazine-1-carboxylate
CID 134296931
tert-butyl 4-(4-amino-2,3-dimethylphenyl)piperazine-1-carboxylate
CID 70581857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate (CID 177246071) is tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate is CCOC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)n1.
What is the InChIKey of tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate?
The InChIKey is WQCVPVGIMCTNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-6-24-16(22)14-7-8-15(13(2)19-14)20-9-11-21(12-10-20)17(23)25-18(3,4)5/h7-8H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate?
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 177246071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).