tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate

C24H41N3O5 — CID 52909179

IUPACtert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@H](C)O1
InChIInChI=1S/C24H41N3O5/c1-17-15-27(16-18(2)31-17)22(29)20-8-12-25(13-9-20)21(28)14-19-6-10-26(11-7-19)23(30)32-24(3,4)5/h17-20H,6-16H2,1-5H3/t17-,18+
InChIKeyZCNVTEAMCQCMDY-HDICACEKSA-N
MW451.61 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 52909179) has the molecular formula C24H41N3O5 and a molecular weight of 451.61 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID52909179
Molecular FormulaC24H41N3O5
Molecular Weight451.61 g/mol
Exact Mass451.30
IUPAC Nametert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)C2CCN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@H](C)O1
InChIInChI=1S/C24H41N3O5/c1-17-15-27(16-18(2)31-17)22(29)20-8-12-25(13-9-20)21(28)14-19-6-10-26(11-7-19)23(30)32-24(3,4)5/h17-20H,6-16H2,1-5H3/t17-,18+
InChIKeyZCNVTEAMCQCMDY-HDICACEKSA-N
XLogP2.90
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 47082026
tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
tert-butyl 4-[2-(oxan-4-yl)acetyl]-1,4-diazepane-1-carboxylate
CID 59143377
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 178154076
tert-butyl 4-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 110629191
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(2,6-dimethylmorpholin-4-yl)pyrrolidine-1-carboxylate
CID 123619361
tert-butyl 4-[2-(2-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11702866
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate (CID 52909179) is tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate is C[C@@H]1CN(C(=O)C2CCN(C(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C[C@H](C)O1.
What is the InChIKey of tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is ZCNVTEAMCQCMDY-HDICACEKSA-N. The full InChI is InChI=1S/C24H41N3O5/c1-17-15-27(16-18(2)31-17)22(29)20-8-12-25(13-9-20)21(28)14-19-6-10-26(11-7-19)23(30)32-24(3,4)5/h17-20H,6-16H2,1-5H3/t17-,18+.
What are the key properties of tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 451.61 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 52909179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).