methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate

C20H31N3O3 — CID 118263729

IUPACmethyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(C)nc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1
InChIInChI=1S/C20H31N3O3/c1-13-11-16(20(25)26-3)19(21-14(13)2)23-10-9-17(18(24)12-23)22-15-7-5-4-6-8-15/h11,15,17-18,22,24H,4-10,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXHGLPRBDCTLJR-QZTJIDSGSA-N
MW361.49 g/mol
LogP2.35
Rot. Bonds4

About methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate

methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate (PubChem CID 118263729) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
PubChem CID118263729
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Namemethyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(C)nc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1
InChIInChI=1S/C20H31N3O3/c1-13-11-16(20(25)26-3)19(21-14(13)2)23-10-9-17(18(24)12-23)22-15-7-5-4-6-8-15/h11,15,17-18,22,24H,4-10,12H2,1-3H3/t17-,18-/m1/s1
InChIKeyZXHGLPRBDCTLJR-QZTJIDSGSA-N
XLogP2.35
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
3-O-ethyl 5-O-methyl 2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate
CID 2796048
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
2-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-5,6-dimethylpyridine-3-carboxylic acid
CID 134704630
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864
N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
CID 118263885
2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide
CID 140681712

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate (CID 118263729) is methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate is COC(=O)c1cc(C)c(C)nc1N1CC[C@@H](NC2CCCCC2)[C@H](O)C1.
What is the InChIKey of methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate?
The InChIKey is ZXHGLPRBDCTLJR-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-13-11-16(20(25)26-3)19(21-14(13)2)23-10-9-17(18(24)12-23)22-15-7-5-4-6-8-15/h11,15,17-18,22,24H,4-10,12H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate?
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate has a molecular weight of 361.49 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 118263729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).