methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate

C14H18N2O3 — CID 99834690

IUPACmethyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18N2O3/c1-10-9-16(8-6-11(10)14(18)19-2)13(17)12-5-3-4-7-15-12/h3-5,7,10-11H,6,8-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyRYMBYPDXTAOVDG-MNOVXSKESA-N
MW262.31 g/mol
LogP1.35
Rot. Bonds2

About methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate

methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate (PubChem CID 99834690) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
PubChem CID99834690
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1C
InChIInChI=1S/C14H18N2O3/c1-10-9-16(8-6-11(10)14(18)19-2)13(17)12-5-3-4-7-15-12/h3-5,7,10-11H,6,8-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyRYMBYPDXTAOVDG-MNOVXSKESA-N
XLogP1.35
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-3-methyl-1-(pyridine-2-carbonyl)azetidine-2-carboxylate
CID 122462282
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CID 176763980
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
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methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
[(2R,3aR,7aR)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridin-2-ylmethanone
CID 124830842
(4-amino-3-ethylpiperidin-1-yl)-pyridin-2-ylmethanone
CID 81457541
[3-(aminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 62063206
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
[(3aR,8aR)-2-(2-methoxyethyl)-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-pyridin-2-ylmethanone
CID 97407051

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate (CID 99834690) is methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate is COC(=O)[C@H]1CCN(C(=O)c2ccccn2)C[C@H]1C.
What is the InChIKey of methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is RYMBYPDXTAOVDG-MNOVXSKESA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-9-16(8-6-11(10)14(18)19-2)13(17)12-5-3-4-7-15-12/h3-5,7,10-11H,6,8-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate?
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 99834690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).