methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate

C17H24N2O5 — CID 131740730

IUPACmethyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1CC[C@H]1CC[C@H](C(=O)OC)CN1
InChIInChI=1S/C17H24N2O5/c1-22-15-9-7-13(17(21)24-3)14(19-15)8-6-12-5-4-11(10-18-12)16(20)23-2/h7,9,11-12,18H,4-6,8,10H2,1-3H3/t11-,12+/m0/s1
InChIKeyWPNVTNABJVRKEV-NWDGAFQWSA-N
MW336.39 g/mol
LogP1.35
Rot. Bonds6

About methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate

methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate (PubChem CID 131740730) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate
PubChem CID131740730
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(OC)nc1CC[C@H]1CC[C@H](C(=O)OC)CN1
InChIInChI=1S/C17H24N2O5/c1-22-15-9-7-13(17(21)24-3)14(19-15)8-6-12-5-4-11(10-18-12)16(20)23-2/h7,9,11-12,18H,4-6,8,10H2,1-3H3/t11-,12+/m0/s1
InChIKeyWPNVTNABJVRKEV-NWDGAFQWSA-N
XLogP1.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate (CID 131740730) is methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate is COC(=O)c1ccc(OC)nc1CC[C@H]1CC[C@H](C(=O)OC)CN1.
What is the InChIKey of methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate?
The InChIKey is WPNVTNABJVRKEV-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-15-9-7-13(17(21)24-3)14(19-15)8-6-12-5-4-11(10-18-12)16(20)23-2/h7,9,11-12,18H,4-6,8,10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate?
methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-[2-[(2R,5S)-5-methoxycarbonylpiperidin-2-yl]ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 131740730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).