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

C19H29N3O3 — CID 118263628

IUPACmethyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2C)C(O)C1
InChIInChI=1S/C19H29N3O3/c1-13-6-3-4-8-15(13)21-16-9-11-22(12-17(16)23)18-14(19(24)25-2)7-5-10-20-18/h5,7,10,13,15-17,21,23H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyUAHNCCDWUCERNS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.98
Rot. Bonds4

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

methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 118263628) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID118263628
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2C)C(O)C1
InChIInChI=1S/C19H29N3O3/c1-13-6-3-4-8-15(13)21-16-9-11-22(12-17(16)23)18-14(19(24)25-2)7-5-10-20-18/h5,7,10,13,15-17,21,23H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyUAHNCCDWUCERNS-UHFFFAOYSA-N
XLogP1.98
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134413006
methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 134413003
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
CID 124672500
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
CID 118263729

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate (CID 118263628) is methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(NC2CCCCC2C)C(O)C1.
What is the InChIKey of methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is UAHNCCDWUCERNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-6-3-4-8-15(13)21-16-9-11-22(12-17(16)23)18-14(19(24)25-2)7-5-10-20-18/h5,7,10,13,15-17,21,23H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 118263628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).