methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate

C24H41N3O6 — CID 46103357

IUPACmethyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H41N3O6/c1-19(25-21(28)9-7-5-3-4-6-8-10-22(29)32-2)23(30)26-13-11-20(12-14-26)24(31)27-15-17-33-18-16-27/h19-20H,3-18H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyGAIOTDYIOHMDSS-IBGZPJMESA-N
MW467.61 g/mol
LogP1.88
Rot. Bonds12

About methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate

methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate (PubChem CID 46103357) has the molecular formula C24H41N3O6 and a molecular weight of 467.61 g/mol. Its IUPAC name is methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate.

Molecular Properties

Compound Namemethyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate
PubChem CID46103357
Molecular FormulaC24H41N3O6
Molecular Weight467.61 g/mol
Exact Mass467.30
IUPAC Namemethyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate
SMILESCOC(=O)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H41N3O6/c1-19(25-21(28)9-7-5-3-4-6-8-10-22(29)32-2)23(30)26-13-11-20(12-14-26)24(31)27-15-17-33-18-16-27/h19-20H,3-18H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyGAIOTDYIOHMDSS-IBGZPJMESA-N
XLogP1.88
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate?
The IUPAC name of methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate (CID 46103357) is methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate.
What is the SMILES notation for methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate?
The canonical SMILES for methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate is COC(=O)CCCCCCCCC(=O)N[C@@H](C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate?
The InChIKey is GAIOTDYIOHMDSS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H41N3O6/c1-19(25-21(28)9-7-5-3-4-6-8-10-22(29)32-2)23(30)26-13-11-20(12-14-26)24(31)27-15-17-33-18-16-27/h19-20H,3-18H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate?
methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate has a molecular weight of 467.61 g/mol, XLogP of 1.88, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-[[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]amino]-10-oxodecanoate is sourced from PubChem (CID 46103357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).