1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

C20H23NO2S — CID 70760484

IUPAC1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCc1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cs1
InChIInChI=1S/C20H23NO2S/c1-15-12-18(14-24-15)20(23)21-11-5-8-17(13-21)19(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3
InChIKeyWIRBXUGEFBTBMA-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.11
Rot. Bonds5

About 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 70760484) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID70760484
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCc1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cs1
InChIInChI=1S/C20H23NO2S/c1-15-12-18(14-24-15)20(23)21-11-5-8-17(13-21)19(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3
InChIKeyWIRBXUGEFBTBMA-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70770080
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 96577086
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methylthiophen-3-yl)methanone
CID 130949994
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288
1-[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 56918400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (CID 70760484) is 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is Cc1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cs1.
What is the InChIKey of 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is WIRBXUGEFBTBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-12-18(14-24-15)20(23)21-11-5-8-17(13-21)19(22)10-9-16-6-3-2-4-7-16/h2-4,6-7,12,14,17H,5,8-11,13H2,1H3.
What are the key properties of 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 341.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).