2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C18H27N3O2S — CID 95762466

IUPAC2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-12-24-18(19-13)16-8-4-6-10-21(16)17(23)11-15-7-3-5-9-20(15)14(2)22/h12,15-16H,3-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyNCXSNCYTXDANHD-HZPDHXFCSA-N
MW349.50 g/mol
LogP3.30
Rot. Bonds3

About 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 95762466) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID95762466
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1nc(C)cs1
InChIInChI=1S/C18H27N3O2S/c1-13-12-24-18(19-13)16-8-4-6-10-21(16)17(23)11-15-7-3-5-9-20(15)14(2)22/h12,15-16H,3-11H2,1-2H3/t15-,16-/m1/s1
InChIKeyNCXSNCYTXDANHD-HZPDHXFCSA-N
XLogP3.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95769941
6-methyl-2-[2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95762482
1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 123326617
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
2,3-dihydrofuran-4-yl-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768479
2-(3-fluorophenyl)-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95735012
1-[3-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95762367
2-[benzyl(methyl)amino]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762430
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 95762466) is 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1CC(=O)N1CCCC[C@@H]1c1nc(C)cs1.
What is the InChIKey of 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NCXSNCYTXDANHD-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-13-12-24-18(19-13)16-8-4-6-10-21(16)17(23)11-15-7-3-5-9-20(15)14(2)22/h12,15-16H,3-11H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 349.50 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95762466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).