tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate

C18H29NO4 — CID 104921891

IUPACtert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)C(c2ccc(COC)o2)C1
InChIInChI=1S/C18H29NO4/c1-6-13-9-10-19(17(20)23-18(2,3)4)15(11-13)16-8-7-14(22-16)12-21-5/h7-8,13,15H,6,9-12H2,1-5H3
InChIKeyCRQUWCYOAMHDRM-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.52
Rot. Bonds4

About tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate

tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate (PubChem CID 104921891) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate
PubChem CID104921891
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Nametert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)C)C(c2ccc(COC)o2)C1
InChIInChI=1S/C18H29NO4/c1-6-13-9-10-19(17(20)23-18(2,3)4)15(11-13)16-8-7-14(22-16)12-21-5/h7-8,13,15H,6,9-12H2,1-5H3
InChIKeyCRQUWCYOAMHDRM-UHFFFAOYSA-N
XLogP4.52
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]ethanone
CID 86796200
tert-butyl 4-ethyl-2-(3-methoxy-2,3-dioxopropyl)piperidine-1-carboxylate
CID 104921875
methyl (2S)-2-[(2R)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propanoate
CID 124573623
tert-butyl 4-ethyl-2-(2-hydroxy-5-methylcyclohexyl)piperidine-1-carboxylate
CID 104921887
tert-butyl 4-(cyanomethyl)-2-phenylpiperidine-1-carboxylate;ethane
CID 144777735
(2R)-N-[[(2R)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-2-[5-(methoxymethyl)furan-2-yl]pyrrolidine-1-carboxamide
CID 99637404
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) (2R,4S)-4-ethylpiperidine-1,2-dicarboxylate
CID 178202377
(3-hydroxy-2-pyridinyl)-[2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]methanone
CID 91661571
(2S)-1,1,1-trifluoro-3-[(2S)-2-[5-(methoxymethyl)furan-2-yl]pyrrolidin-1-yl]propan-2-ol
CID 129381653
tert-butyl 3-chloro-2-[(5-methoxycarbonylfuran-2-yl)methoxymethyl]pyrrolidine-1-carboxylate
CID 66993359
tert-butyl 4-(hydroxymethyl)-2-(methoxymethyl)piperidine-1-carboxylate
CID 172691809
tert-butyl (2S,4R)-2-(4-hydroxyphenyl)-4-methylpiperidine-1-carboxylate
CID 138627786

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate (CID 104921891) is tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate is CCC1CCN(C(=O)OC(C)(C)C)C(c2ccc(COC)o2)C1.
What is the InChIKey of tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate?
The InChIKey is CRQUWCYOAMHDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4/c1-6-13-9-10-19(17(20)23-18(2,3)4)15(11-13)16-8-7-14(22-16)12-21-5/h7-8,13,15H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate?
tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate has a molecular weight of 323.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-2-[5-(methoxymethyl)furan-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 104921891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).