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

C15H20N2O3S — CID 9441004

IUPAC1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C15H20N2O3S/c1-10-2-4-13(21-10)12(18)3-5-14(19)17-8-6-11(7-9-17)15(16)20/h2,4,11H,3,5-9H2,1H3,(H2,16,20)
InChIKeyGDFCZMKJNBZTAV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.74
Rot. Bonds5

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

1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide (PubChem CID 9441004) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide
PubChem CID9441004
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)s1
InChIInChI=1S/C15H20N2O3S/c1-10-2-4-13(21-10)12(18)3-5-14(19)17-8-6-11(7-9-17)15(16)20/h2,4,11H,3,5-9H2,1H3,(H2,16,20)
InChIKeyGDFCZMKJNBZTAV-UHFFFAOYSA-N
XLogP1.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide (CID 9441004) is 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide is Cc1ccc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)s1.
What is the InChIKey of 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide?
The InChIKey is GDFCZMKJNBZTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10-2-4-13(21-10)12(18)3-5-14(19)17-8-6-11(7-9-17)15(16)20/h2,4,11H,3,5-9H2,1H3,(H2,16,20).
What are the key properties of 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide?
1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 9441004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).