1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide

C18H20N2O2S — CID 91837200

IUPAC1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)s1
InChIInChI=1S/C18H20N2O2S/c1-12-5-6-16(23-12)14-3-2-4-15(11-14)18(22)20-9-7-13(8-10-20)17(19)21/h2-6,11,13H,7-10H2,1H3,(H2,19,21)
InChIKeyAJQVPFSQXWUWLE-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.06
Rot. Bonds3

About 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide

1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 91837200) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID91837200
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)s1
InChIInChI=1S/C18H20N2O2S/c1-12-5-6-16(23-12)14-3-2-4-15(11-14)18(22)20-9-7-13(8-10-20)17(19)21/h2-6,11,13H,7-10H2,1H3,(H2,19,21)
InChIKeyAJQVPFSQXWUWLE-UHFFFAOYSA-N
XLogP3.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]-piperidin-1-ylmethanone
CID 46321657
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
1-[3-(chloromethyl)benzoyl]piperidine-4-carboxamide
CID 43333364
1-[3-(2-aminoethyl)benzoyl]piperidine-4-carboxamide
CID 62593665
1-[3-(methylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 94786854
1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
2,2,2-trifluoro-1-[5-[3-(piperidine-1-carbonyl)phenyl]thiophen-2-yl]ethanone
CID 68507690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide (CID 91837200) is 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide is Cc1ccc(-c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)s1.
What is the InChIKey of 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is AJQVPFSQXWUWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-5-6-16(23-12)14-3-2-4-15(11-14)18(22)20-9-7-13(8-10-20)17(19)21/h2-6,11,13H,7-10H2,1H3,(H2,19,21).
What are the key properties of 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide?
1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylthiophen-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 91837200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).