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

C20H23NO3S — CID 25474842

IUPAC1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCc3ccsc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-24-18-5-3-16(4-6-18)20(23)17-8-11-21(12-9-17)19(22)7-2-15-10-13-25-14-15/h3-6,10,13-14,17H,2,7-9,11-12H2,1H3
InChIKeyKBXOFKQSCHKRIC-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.81
Rot. Bonds6

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

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 25474842) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID25474842
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)CCc3ccsc3)CC2)cc1
InChIInChI=1S/C20H23NO3S/c1-24-18-5-3-16(4-6-18)20(23)17-8-11-21(12-9-17)19(22)7-2-15-10-13-25-14-15/h3-6,10,13-14,17H,2,7-9,11-12H2,1H3
InChIKeyKBXOFKQSCHKRIC-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
3-(3-fluoro-4-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 51324275
5-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]pentan-1-one
CID 55791274
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 25473522
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-thiophen-3-ylpropan-1-one
CID 56819347
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 55500827
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 25474842) is 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is COc1ccc(C(=O)C2CCN(C(=O)CCc3ccsc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is KBXOFKQSCHKRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-24-18-5-3-16(4-6-18)20(23)17-8-11-21(12-9-17)19(22)7-2-15-10-13-25-14-15/h3-6,10,13-14,17H,2,7-9,11-12H2,1H3.
What are the key properties of 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 357.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 25474842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).