1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone

C14H17N3OS — CID 156583748

IUPAC1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2nccn2[C@@H]2CCCNC2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(18)13-7-11(9-19-13)14-16-5-6-17(14)12-3-2-4-15-8-12/h5-7,9,12,15H,2-4,8H2,1H3/t12-/m1/s1
InChIKeyGXNPYSJTXQTGQW-GFCCVEGCSA-N
MW275.38 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone

1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone (PubChem CID 156583748) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone
PubChem CID156583748
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2nccn2[C@@H]2CCCNC2)cs1
InChIInChI=1S/C14H17N3OS/c1-10(18)13-7-11(9-19-13)14-16-5-6-17(14)12-3-2-4-15-8-12/h5-7,9,12,15H,2-4,8H2,1H3/t12-/m1/s1
InChIKeyGXNPYSJTXQTGQW-GFCCVEGCSA-N
XLogP2.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 54592668
2-chloro-3-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]phenol
CID 156583604
(3R)-3-(3-methyl-2-oxopyrazin-1-yl)piperidine-1-carboxylic acid;3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
CID 175514288
1-[4-[1-(1,3-dihydro-2-benzofuran-5-yl)imidazol-2-yl]thiophen-2-yl]ethanone
CID 137338883
2-(1-piperidin-3-ylimidazol-2-yl)ethanamine
CID 84733200
4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 59603852
4-methoxy-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
CID 104645591
2,5-dimethyl-N-piperidin-3-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119427645
ethyl 1-(azetidin-3-yl)imidazole-2-carboxylate
CID 150211347
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
1-[(3S)-pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethyl)phenyl]imidazole;dihydrochloride
CID 154923690
methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone (CID 156583748) is 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone is CC(=O)c1cc(-c2nccn2[C@@H]2CCCNC2)cs1.
What is the InChIKey of 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone?
The InChIKey is GXNPYSJTXQTGQW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(18)13-7-11(9-19-13)14-16-5-6-17(14)12-3-2-4-15-8-12/h5-7,9,12,15H,2-4,8H2,1H3/t12-/m1/s1.
What are the key properties of 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone?
1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone has a molecular weight of 275.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[(3R)-piperidin-3-yl]imidazol-2-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 156583748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).