1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one

C17H26N2O3S — CID 95778958

IUPAC1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESCc1csc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n1
InChIInChI=1S/C17H26N2O3S/c1-13-12-23-17(18-13)14-4-2-7-19(10-14)16(20)6-9-21-11-15-5-3-8-22-15/h12,14-15H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyUUXHCCJWXKAYHP-HUUCEWRRSA-N
MW338.47 g/mol
LogP2.74
Rot. Bonds6

About 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one

1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (PubChem CID 95778958) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
PubChem CID95778958
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
SMILESCc1csc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n1
InChIInChI=1S/C17H26N2O3S/c1-13-12-23-17(18-13)14-4-2-7-19(10-14)16(20)6-9-21-11-15-5-3-8-22-15/h12,14-15H,2-11H2,1H3/t14-,15-/m1/s1
InChIKeyUUXHCCJWXKAYHP-HUUCEWRRSA-N
XLogP2.74
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
CID 95779059
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2S)-oxan-2-yl]propan-1-one
CID 95778944
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one
CID 95734338
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 138016873
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136
1-[(3R)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95777917
4-[2-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]benzoic acid
CID 129470154
3-imidazol-1-yl-1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95779153
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The IUPAC name of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one (CID 95778958) is 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The canonical SMILES for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is Cc1csc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
The InChIKey is UUXHCCJWXKAYHP-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-12-23-17(18-13)14-4-2-7-19(10-14)16(20)6-9-21-11-15-5-3-8-22-15/h12,14-15H,2-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one?
1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one has a molecular weight of 338.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-1-one is sourced from PubChem (CID 95778958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).