1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one

C23H25NOS — CID 10155637

IUPAC1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2s1
InChIInChI=1S/C23H25NOS/c25-21(23-16-20-8-4-5-9-22(20)26-23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2
InChIKeyHXFSUKMKWTWURM-UHFFFAOYSA-N
MW363.53 g/mol
LogP5.78
Rot. Bonds6

About 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one

1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one (PubChem CID 10155637) has the molecular formula C23H25NOS and a molecular weight of 363.53 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
PubChem CID10155637
Molecular FormulaC23H25NOS
Molecular Weight363.53 g/mol
Exact Mass363.17
IUPAC Name1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
SMILESO=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2s1
InChIInChI=1S/C23H25NOS/c25-21(23-16-20-8-4-5-9-22(20)26-23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2
InChIKeyHXFSUKMKWTWURM-UHFFFAOYSA-N
XLogP5.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 15872236
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
3-(1-benzylpiperidin-4-yl)-1-(1-phenyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 46889354
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 10292083
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
3-(1-benzylpiperidin-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 19108487
1-(1-acetyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 19108439
3-[1-[(3-bromophenyl)methyl]piperidin-4-yl]propanoic acid
CID 62217880
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-methylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 18620857
4-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]butanoic acid
CID 91542676
3-[1-[(4-iodophenyl)methyl]piperidin-4-yl]propanoic acid
CID 65477435

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one (CID 10155637) is 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one is O=C(CCC1CCN(Cc2ccccc2)CC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
The InChIKey is HXFSUKMKWTWURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NOS/c25-21(23-16-20-8-4-5-9-22(20)26-23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one?
1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one has a molecular weight of 363.53 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 10155637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).