1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone

C19H22N2O — CID 176809674

IUPAC1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
SMILESC[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H22N2O/c1-15-4-2-3-13-21(15)19(22)14-16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,15H,2-4,13-14H2,1H3/t15-/m0/s1
InChIKeyYMMVHOHVGFTMLL-HNNXBMFYSA-N
MW294.40 g/mol
LogP3.69
Rot. Bonds3

About 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone

1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone (PubChem CID 176809674) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
PubChem CID176809674
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
SMILESC[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H22N2O/c1-15-4-2-3-13-21(15)19(22)14-16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,15H,2-4,13-14H2,1H3/t15-/m0/s1
InChIKeyYMMVHOHVGFTMLL-HNNXBMFYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
1-[(2S)-2-methylpiperidin-1-yl]-2-(3-pyrimidin-5-ylphenyl)ethanone
CID 176809698
2-(3,4-dimethoxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 4167532
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
1-[(2S)-2-methylpiperidin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2699902
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
2-(3,4-diaminophenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 21294525
2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 95633290
1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone?
The IUPAC name of 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone (CID 176809674) is 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone is C[C@H]1CCCCN1C(=O)Cc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone?
The InChIKey is YMMVHOHVGFTMLL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-4-2-3-13-21(15)19(22)14-16-5-7-17(8-6-16)18-9-11-20-12-10-18/h5-12,15H,2-4,13-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone?
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone is sourced from PubChem (CID 176809674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).