1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C19H27N3OS — CID 72854193

IUPAC1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCCCn1ccnc1C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C19H27N3OS/c1-2-3-11-22-14-10-20-19(22)16-8-12-21(13-9-16)18(23)7-6-17-5-4-15-24-17/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3
InChIKeyHPHJTOXOGKZPGM-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.08
Rot. Bonds7

About 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 72854193) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID72854193
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCCCCn1ccnc1C1CCN(C(=O)CCc2cccs2)CC1
InChIInChI=1S/C19H27N3OS/c1-2-3-11-22-14-10-20-19(22)16-8-12-21(13-9-16)18(23)7-6-17-5-4-15-24-17/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3
InChIKeyHPHJTOXOGKZPGM-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 43416005
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propan-1-one
CID 97269439
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
1-cyclopentyl-3-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]urea
CID 110822094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 72854193) is 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is CCCCn1ccnc1C1CCN(C(=O)CCc2cccs2)CC1.
What is the InChIKey of 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is HPHJTOXOGKZPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-2-3-11-22-14-10-20-19(22)16-8-12-21(13-9-16)18(23)7-6-17-5-4-15-24-17/h4-5,10,14-16H,2-3,6-9,11-13H2,1H3.
What are the key properties of 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 345.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 72854193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).