1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone

C20H22N2O3S — CID 42293000

IUPAC1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccccc1C(=O)[C@H]1CCCN(C(=O)CSc2ccccn2)C1
InChIInChI=1S/C20H22N2O3S/c1-25-17-9-3-2-8-16(17)20(24)15-7-6-12-22(13-15)19(23)14-26-18-10-4-5-11-21-18/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m0/s1
InChIKeyOYIHQTQJEFTTFZ-HNNXBMFYSA-N
MW370.47 g/mol
LogP3.30
Rot. Bonds6

About 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone

1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone (PubChem CID 42293000) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
PubChem CID42293000
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
SMILESCOc1ccccc1C(=O)[C@H]1CCCN(C(=O)CSc2ccccn2)C1
InChIInChI=1S/C20H22N2O3S/c1-25-17-9-3-2-8-16(17)20(24)15-7-6-12-22(13-15)19(23)14-26-18-10-4-5-11-21-18/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m0/s1
InChIKeyOYIHQTQJEFTTFZ-HNNXBMFYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 95726233
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
3-(1,3-benzothiazol-2-yl)-1-[(3R)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 42564843
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 26325134
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 24817693
methyl 4-[[(3R)-3-(2-methoxybenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 42394704

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The IUPAC name of 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone (CID 42293000) is 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone.
What is the SMILES notation for 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The canonical SMILES for 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone is COc1ccccc1C(=O)[C@H]1CCCN(C(=O)CSc2ccccn2)C1.
What is the InChIKey of 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
The InChIKey is OYIHQTQJEFTTFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-17-9-3-2-8-16(17)20(24)15-7-6-12-22(13-15)19(23)14-26-18-10-4-5-11-21-18/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone?
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone has a molecular weight of 370.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone is sourced from PubChem (CID 42293000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).