methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate

C23H32ClN3O5 — CID 69198543

IUPACmethyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCCC1=O
InChIInChI=1S/C23H32ClN3O5/c1-23(2,3)32-21(29)15-8-11-26(12-9-15)20-17(24)13-16(22(30)31-4)18(25-20)14-27-10-6-5-7-19(27)28/h13,15H,5-12,14H2,1-4H3
InChIKeySUCDYHWZXIOGEO-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.59
Rot. Bonds5

About methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate

methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 69198543) has the molecular formula C23H32ClN3O5 and a molecular weight of 465.98 g/mol. Its IUPAC name is methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate
PubChem CID69198543
Molecular FormulaC23H32ClN3O5
Molecular Weight465.98 g/mol
Exact Mass465.20
IUPAC Namemethyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCCC1=O
InChIInChI=1S/C23H32ClN3O5/c1-23(2,3)32-21(29)15-8-11-26(12-9-15)20-17(24)13-16(22(30)31-4)18(25-20)14-27-10-6-5-7-19(27)28/h13,15H,5-12,14H2,1-4H3
InChIKeySUCDYHWZXIOGEO-UHFFFAOYSA-N
XLogP3.59
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate (CID 69198543) is methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate is COC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1CN1CCCCC1=O.
What is the InChIKey of methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate?
The InChIKey is SUCDYHWZXIOGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O5/c1-23(2,3)32-21(29)15-8-11-26(12-9-15)20-17(24)13-16(22(30)31-4)18(25-20)14-27-10-6-5-7-19(27)28/h13,15H,5-12,14H2,1-4H3.
What are the key properties of methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate?
methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 465.98 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 69198543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).