methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

C18H27N3O3 — CID 134417562

IUPACmethyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2)[C@H](O)C1
InChIInChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3/t15?,16-/m1/s1
InChIKeyAJNIGLAHOWKSPB-OEMAIJDKSA-N
MW333.43 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 134417562) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
PubChem CID134417562
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Namemethyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1CCC(NC2CCCCC2)[C@H](O)C1
InChIInChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3/t15?,16-/m1/s1
InChIKeyAJNIGLAHOWKSPB-OEMAIJDKSA-N
XLogP1.73
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134413006
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
CID 118263729
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
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
methyl 2-(5-bromo-4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 175582365
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
CID 75522930

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (CID 134417562) is methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1CCC(NC2CCCCC2)[C@H](O)C1.
What is the InChIKey of methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is AJNIGLAHOWKSPB-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-24-18(23)14-8-5-10-19-17(14)21-11-9-15(16(22)12-21)20-13-6-3-2-4-7-13/h5,8,10,13,15-16,20,22H,2-4,6-7,9,11-12H2,1H3/t15?,16-/m1/s1.
What are the key properties of methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 134417562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).