1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone

C18H20N2O2S — CID 24791777

IUPAC1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Nc3ccccc3)C2)s1
InChIInChI=1S/C18H20N2O2S/c1-13(21)16-9-10-17(23-16)18(22)20-11-5-8-15(12-20)19-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,19H,5,8,11-12H2,1H3
InChIKeyHMFLGCDTHLGKHT-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.67
Rot. Bonds4

About 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone

1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone (PubChem CID 24791777) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone
PubChem CID24791777
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Nc3ccccc3)C2)s1
InChIInChI=1S/C18H20N2O2S/c1-13(21)16-9-10-17(23-16)18(22)20-11-5-8-15(12-20)19-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,19H,5,8,11-12H2,1H3
InChIKeyHMFLGCDTHLGKHT-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone (CID 24791777) is 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCCC(Nc3ccccc3)C2)s1.
What is the InChIKey of 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone?
The InChIKey is HMFLGCDTHLGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13(21)16-9-10-17(23-16)18(22)20-11-5-8-15(12-20)19-14-6-3-2-4-7-14/h2-4,6-7,9-10,15,19H,5,8,11-12H2,1H3.
What are the key properties of 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone?
1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone has a molecular weight of 328.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-anilinopiperidine-1-carbonyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 24791777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).