methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

C23H36N4O5 — CID 124883309

IUPACmethyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H36N4O5/c1-16-10-12-27(13-11-16)19-8-6-17(14-24-19)15-25-21(29)18(7-9-20(28)31-5)26-22(30)32-23(2,3)4/h6,8,14,16,18H,7,9-13,15H2,1-5H3,(H,25,29)(H,26,30)/t18-/m1/s1
InChIKeySDYOALJXIVVMAX-GOSISDBHSA-N
MW448.56 g/mol
LogP2.78
Rot. Bonds8

About methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (PubChem CID 124883309) has the molecular formula C23H36N4O5 and a molecular weight of 448.56 g/mol. Its IUPAC name is methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
PubChem CID124883309
Molecular FormulaC23H36N4O5
Molecular Weight448.56 g/mol
Exact Mass448.27
IUPAC Namemethyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
SMILESCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1
InChIInChI=1S/C23H36N4O5/c1-16-10-12-27(13-11-16)19-8-6-17(14-24-19)15-25-21(29)18(7-9-20(28)31-5)26-22(30)32-23(2,3)4/h6,8,14,16,18H,7,9-13,15H2,1-5H3,(H,25,29)(H,26,30)/t18-/m1/s1
InChIKeySDYOALJXIVVMAX-GOSISDBHSA-N
XLogP2.78
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[(2S)-1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 55971732
methyl (4S)-5-[(4-iodophenyl)methylamino]-4-[[(2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-5-oxopentanoate
CID 68630252
4-amino-3-methoxy-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]butanamide
CID 120595263
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl 3-[[N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109467221
tert-butyl 4-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-pyridinyl]piperazine-1-carboxylate
CID 102546803
tert-butyl N-[[6-[(2S)-2-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]carbamate
CID 170765076
1-(4-hydroxy-2,2-dimethylbutyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 111504532
2-(3-fluorophenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 86995978
tert-butyl N-[1-[N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729316
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
2-(2-bromo-4-methylphenoxy)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55846730

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The IUPAC name of methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate (CID 124883309) is methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate.
What is the SMILES notation for methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The canonical SMILES for methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCC(C)CC2)nc1.
What is the InChIKey of methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
The InChIKey is SDYOALJXIVVMAX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H36N4O5/c1-16-10-12-27(13-11-16)19-8-6-17(14-24-19)15-25-21(29)18(7-9-20(28)31-5)26-22(30)32-23(2,3)4/h6,8,14,16,18H,7,9-13,15H2,1-5H3,(H,25,29)(H,26,30)/t18-/m1/s1.
What are the key properties of methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate?
methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate has a molecular weight of 448.56 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate is sourced from PubChem (CID 124883309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).