1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate

C24H41N3O6 — CID 55476275

IUPAC1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C24H41N3O6/c1-23(2,3)33-22(30)26-11-7-19(8-12-26)21(29)32-17-20(28)25-18-24(9-5-4-6-10-24)27-13-15-31-16-14-27/h19H,4-18H2,1-3H3,(H,25,28)
InChIKeyFLCFXOBFLATCTO-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.33
Rot. Bonds6

About 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate (PubChem CID 55476275) has the molecular formula C24H41N3O6 and a molecular weight of 467.61 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
PubChem CID55476275
Molecular FormulaC24H41N3O6
Molecular Weight467.61 g/mol
Exact Mass467.30
IUPAC Name1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C24H41N3O6/c1-23(2,3)33-22(30)26-11-7-19(8-12-26)21(29)32-17-20(28)25-18-24(9-5-4-6-10-24)27-13-15-31-16-14-27/h19H,4-18H2,1-3H3,(H,25,28)
InChIKeyFLCFXOBFLATCTO-UHFFFAOYSA-N
XLogP2.33
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate with MolForge

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Related Compounds

N-[(1-morpholin-4-ylcycloheptyl)methyl]-1-propanoylpiperidine-4-carboxamide
CID 131939230
N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17459032
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 16569475
1-O-tert-butyl 4-O-[2-(tert-butylcarbamoylamino)-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924145
ethyl 1-[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidine-3-carboxylate
CID 110994283
1-(2,2-dimethylpropanoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-3-carboxamide
CID 47987115
ethyl 1-[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156146
1-O-tert-butyl 4-O-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8923958
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55475345
4-butyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 20995034
1-O-tert-butyl 4-O-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] piperidine-1,4-dicarboxylate
CID 8924669
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate (CID 55476275) is 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
The InChIKey is FLCFXOBFLATCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N3O6/c1-23(2,3)33-22(30)26-11-7-19(8-12-26)21(29)32-17-20(28)25-18-24(9-5-4-6-10-24)27-13-15-31-16-14-27/h19H,4-18H2,1-3H3,(H,25,28).
What are the key properties of 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate has a molecular weight of 467.61 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate is sourced from PubChem (CID 55476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).