tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate

C17H31NO4 — CID 11415749

IUPACtert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(C)CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO4/c1-6-21-15(19)13(2)7-8-14-9-11-18(12-10-14)16(20)22-17(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyFNNQGJNMPRWGAB-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.61
Rot. Bonds5

About tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate

tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate (PubChem CID 11415749) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate
PubChem CID11415749
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC Nametert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(C)CCC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H31NO4/c1-6-21-15(19)13(2)7-8-14-9-11-18(12-10-14)16(20)22-17(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyFNNQGJNMPRWGAB-UHFFFAOYSA-N
XLogP3.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate (CID 11415749) is tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate is CCOC(=O)C(C)CCC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate?
The InChIKey is FNNQGJNMPRWGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO4/c1-6-21-15(19)13(2)7-8-14-9-11-18(12-10-14)16(20)22-17(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate?
tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-ethoxy-3-methyl-4-oxobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 11415749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).