methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate

C19H29N3O4 — CID 118263630

IUPACmethyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2OC)C(O)C1
InChIInChI=1S/C19H29N3O4/c1-25-17-8-4-3-7-15(17)21-14-9-11-22(12-16(14)23)18-13(19(24)26-2)6-5-10-20-18/h5-6,10,14-17,21,23H,3-4,7-9,11-12H2,1-2H3
InChIKeyOLMUUGJYKANOFU-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.36
Rot. Bonds5

About methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate

methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 118263630) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID118263630
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Namemethyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2OC)C(O)C1
InChIInChI=1S/C19H29N3O4/c1-25-17-8-4-3-7-15(17)21-14-9-11-22(12-16(14)23)18-13(19(24)26-2)6-5-10-20-18/h5-6,10,14-17,21,23H,3-4,7-9,11-12H2,1-2H3
InChIKeyOLMUUGJYKANOFU-UHFFFAOYSA-N
XLogP1.36
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (CID 118263630) is methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(NC2CCCCC2OC)C(O)C1.
What is the InChIKey of methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is OLMUUGJYKANOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-25-17-8-4-3-7-15(17)21-14-9-11-22(12-16(14)23)18-13(19(24)26-2)6-5-10-20-18/h5-6,10,14-17,21,23H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 118263630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).