ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate

C16H22N2O4 — CID 166772197

IUPACethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)N1CCCC[C@H]1CO
InChIInChI=1S/C16H22N2O4/c1-2-22-15(20)10-14-13(7-5-8-17-14)16(21)18-9-4-3-6-12(18)11-19/h5,7-8,12,19H,2-4,6,9-11H2,1H3/t12-/m0/s1
InChIKeyUMBQVFTXUGLWGD-LBPRGKRZSA-N
MW306.36 g/mol
LogP1.17
Rot. Bonds5

About ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate

ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate (PubChem CID 166772197) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate
PubChem CID166772197
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncccc1C(=O)N1CCCC[C@H]1CO
InChIInChI=1S/C16H22N2O4/c1-2-22-15(20)10-14-13(7-5-8-17-14)16(21)18-9-4-3-6-12(18)11-19/h5,7-8,12,19H,2-4,6,9-11H2,1H3/t12-/m0/s1
InChIKeyUMBQVFTXUGLWGD-LBPRGKRZSA-N
XLogP1.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
3-[3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]propanenitrile
CID 146567738
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
methyl 2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 156874403
(2-ethylsulfonylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421223
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
2-(hydroxymethyl)-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111428254
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate (CID 166772197) is ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate is CCOC(=O)Cc1ncccc1C(=O)N1CCCC[C@H]1CO.
What is the InChIKey of ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate?
The InChIKey is UMBQVFTXUGLWGD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-22-15(20)10-14-13(7-5-8-17-14)16(21)18-9-4-3-6-12(18)11-19/h5,7-8,12,19H,2-4,6,9-11H2,1H3/t12-/m0/s1.
What are the key properties of ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate?
ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate has a molecular weight of 306.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]-2-pyridinyl]acetate is sourced from PubChem (CID 166772197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).