tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate

C16H29NO5 — CID 130429411

IUPACtert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
SMILESCCC1CC(O)C(C)C(CC(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-7-11-8-13(18)10(2)12(9-14(19)21-6)17(11)15(20)22-16(3,4)5/h10-13,18H,7-9H2,1-6H3
InChIKeyMHNSJWWRSOZSDE-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.33
Rot. Bonds3

About tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate

tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate (PubChem CID 130429411) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
PubChem CID130429411
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
SMILESCCC1CC(O)C(C)C(CC(=O)OC)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO5/c1-7-11-8-13(18)10(2)12(9-14(19)21-6)17(11)15(20)22-16(3,4)5/h10-13,18H,7-9H2,1-6H3
InChIKeyMHNSJWWRSOZSDE-UHFFFAOYSA-N
XLogP2.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate (CID 130429411) is tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate is CCC1CC(O)C(C)C(CC(=O)OC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The InChIKey is MHNSJWWRSOZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-7-11-8-13(18)10(2)12(9-14(19)21-6)17(11)15(20)22-16(3,4)5/h10-13,18H,7-9H2,1-6H3.
What are the key properties of tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 130429411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).