tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate

C25H46N2O5 — CID 162510275

IUPACtert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)C(C)(C)NC1CCC(OCCC2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1
InChIInChI=1S/C25H46N2O5/c1-17-15-19(16-18(2)27(17)23(29)32-24(3,4)5)13-14-31-21-11-9-20(10-12-21)26-25(6,7)22(28)30-8/h17-21,26H,9-16H2,1-8H3/t17-,18+,19?,20?,21?
InChIKeyGZBRDMSNDGJPAE-ZRJNFMMRSA-N
MW454.65 g/mol
LogP4.67
Rot. Bonds7

About tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate

tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 162510275) has the molecular formula C25H46N2O5 and a molecular weight of 454.65 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate
PubChem CID162510275
Molecular FormulaC25H46N2O5
Molecular Weight454.65 g/mol
Exact Mass454.34
IUPAC Nametert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)C(C)(C)NC1CCC(OCCC2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1
InChIInChI=1S/C25H46N2O5/c1-17-15-19(16-18(2)27(17)23(29)32-24(3,4)5)13-14-31-21-11-9-20(10-12-21)26-25(6,7)22(28)30-8/h17-21,26H,9-16H2,1-8H3/t17-,18+,19?,20?,21?
InChIKeyGZBRDMSNDGJPAE-ZRJNFMMRSA-N
XLogP4.67
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-(4-aminocyclohexyl)oxyethoxy]-2,6-dimethylpiperidine-1-carboxylate
CID 167528440
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl 3-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68911164
methyl 2-[(4-ethylcyclohexyl)amino]-2-methylpropanoate
CID 43725918
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
tert-butyl 4-(6-methoxyhexoxy)piperidine-1-carboxylate
CID 22492952
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 82710466
tert-butyl (3S)-3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 96551969

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate (CID 162510275) is tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate is COC(=O)C(C)(C)NC1CCC(OCCC2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1.
What is the InChIKey of tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is GZBRDMSNDGJPAE-ZRJNFMMRSA-N. The full InChI is InChI=1S/C25H46N2O5/c1-17-15-19(16-18(2)27(17)23(29)32-24(3,4)5)13-14-31-21-11-9-20(10-12-21)26-25(6,7)22(28)30-8/h17-21,26H,9-16H2,1-8H3/t17-,18+,19?,20?,21?.
What are the key properties of tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 454.65 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-[2-[4-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]cyclohexyl]oxyethyl]-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 162510275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).