methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate

C15H20N2O3 — CID 169210710

IUPACmethyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c1-11-5-6-13(15(19)20-2)10-17(11)14(18)8-12-4-3-7-16-9-12/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-,13+/m0/s1
InChIKeyXEMODBLQCIHJPK-WCQYABFASA-N
MW276.34 g/mol
LogP1.42
Rot. Bonds3

About methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate

methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate (PubChem CID 169210710) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
PubChem CID169210710
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c1-11-5-6-13(15(19)20-2)10-17(11)14(18)8-12-4-3-7-16-9-12/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-,13+/m0/s1
InChIKeyXEMODBLQCIHJPK-WCQYABFASA-N
XLogP1.42
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,6S)-1-[2-(3,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxylate
CID 169210737
(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 169210792
methyl 4-hydroxy-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 112632372
methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate
CID 169210760
methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
CID 169210735
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
methyl 4-pyridin-3-yloxycyclohexane-1-carboxylate
CID 67421433

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate (CID 169210710) is methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate is COC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2cccnc2)C1.
What is the InChIKey of methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate?
The InChIKey is XEMODBLQCIHJPK-WCQYABFASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-6-13(15(19)20-2)10-17(11)14(18)8-12-4-3-7-16-9-12/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3/t11-,13+/m0/s1.
What are the key properties of methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate?
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 169210710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).