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

C16H29NO5 — CID 90328284

IUPACtert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
SMILESCCC1CC(O)C(C)[C@H](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/t10?,11?,12-,13?/m0/s1
InChIKeyMHNSJWWRSOZSDE-ARAJFMJPSA-N
MW315.41 g/mol
LogP2.33
Rot. Bonds3

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

tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate (PubChem CID 90328284) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
PubChem CID90328284
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
SMILESCCC1CC(O)C(C)[C@H](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/t10?,11?,12-,13?/m0/s1
InChIKeyMHNSJWWRSOZSDE-ARAJFMJPSA-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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Related Compounds

t-Butyl 3-(5-hydroxypentyl)-4-oxopiperidine-1-carboxylate
CID 114451414
tert-butyl (2S,6S)-2-(2-hydroxyethyl)-6-[(2R)-2-methyl-4-oxopentyl]piperidine-1-carboxylate
CID 134949805
tert-butyl (2S)-2-[(2S)-5-hydroxy-1-methoxy-1-oxopentan-2-yl]piperidine-1-carboxylate
CID 11723231
2-(2-Ethoxy-2-oxoethyl)-4-hydroxypiperidine-1-carboxylic acid
CID 67378078
2-(9-(tert-Butoxycarbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetic acid
CID 68046825
Tert-butyl 2-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperidine-1-carboxylate
CID 68901706
Tert-butyl 4-(3-ethoxycarbonylcyclohexyl)-4-hydroxypiperidine-1-carboxylate
CID 89647584
tert-butyl (3S)-5-hydroxy-3-(2-methoxy-2-oxoethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 90328089
Tert-butyl 5-hydroxy-3-(2-methoxy-2-oxoethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118934091
Tert-butyl 6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate
CID 130429411
ethane;(4-methoxycarbonylcyclohexyl) (2S,6R)-2-ethyl-6-methylpiperidine-1-carboxylate
CID 143801911
tert-Butyl (2S,4R)-2-(2-(tert-butoxy)-2-oxoethyl)-4-hydroxypiperidine-1-carboxylate
CID 156892216

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate (CID 90328284) is tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate is CCC1CC(O)C(C)[C@H](CC(=O)OC)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
The InChIKey is MHNSJWWRSOZSDE-ARAJFMJPSA-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/t10?,11?,12-,13?/m0/s1.
What are the key properties of tert-butyl (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate?
tert-butyl (2S)-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 (2S)-6-ethyl-4-hydroxy-2-(2-methoxy-2-oxoethyl)-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 90328284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).