1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C17H23N3OS — CID 124981783

IUPAC1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1
InChIInChI=1S/C17H23N3OS/c1-13-11-19(2)17(18-13)14-5-3-9-20(12-14)16(21)8-7-15-6-4-10-22-15/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3/t14-/m1/s1
InChIKeyMSRMMDYQUINAJB-CQSZACIVSA-N
MW317.46 g/mol
LogP3.13
Rot. Bonds4

About 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 124981783) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID124981783
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1
InChIInChI=1S/C17H23N3OS/c1-13-11-19(2)17(18-13)14-5-3-9-20(12-14)16(21)8-7-15-6-4-10-22-15/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3/t14-/m1/s1
InChIKeyMSRMMDYQUINAJB-CQSZACIVSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95578538
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125025642
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95736887
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
3-(benzotriazol-1-yl)-1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 124940441
1-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 97210470
1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 124981783) is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is MSRMMDYQUINAJB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-11-19(2)17(18-13)14-5-3-9-20(12-14)16(21)8-7-15-6-4-10-22-15/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 317.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 124981783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).