1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

C18H23N3O2S — CID 95777816

IUPAC1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)sc1C
InChIInChI=1S/C18H23N3O2S/c1-13-14(2)24-18(19-13)15-6-5-10-21(12-15)17(23)8-11-20-9-4-3-7-16(20)22/h3-4,7,9,15H,5-6,8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyUDHZONDOPLMVRL-HNNXBMFYSA-N
MW345.47 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 95777816) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID95777816
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCc1nc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)sc1C
InChIInChI=1S/C18H23N3O2S/c1-13-14(2)24-18(19-13)15-6-5-10-21(12-15)17(23)8-11-20-9-4-3-7-16(20)22/h3-4,7,9,15H,5-6,8,10-12H2,1-2H3/t15-/m0/s1
InChIKeyUDHZONDOPLMVRL-HNNXBMFYSA-N
XLogP2.72
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one with MolForge

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Related Compounds

1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 95777862
1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95777800
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 95777903
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
2-[2-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 164641454
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95777886
2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]acetic acid
CID 119135139
[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 95777767

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 95777816) is 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is Cc1nc([C@H]2CCCN(C(=O)CCn3ccccc3=O)C2)sc1C.
What is the InChIKey of 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is UDHZONDOPLMVRL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-14(2)24-18(19-13)15-6-5-10-21(12-15)17(23)8-11-20-9-4-3-7-16(20)22/h3-4,7,9,15H,5-6,8,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 345.47 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 95777816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).