N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide

C16H24N2O2S — CID 46943863

IUPACN-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C16H24N2O2S/c1-3-17-15(20)16(2)9-5-10-18(12-16)14(19)8-7-13-6-4-11-21-13/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,17,20)
InChIKeyGCMQAZTZPUKKSD-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide

N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide (PubChem CID 46943863) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
PubChem CID46943863
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
SMILESCCNC(=O)C1(C)CCCN(C(=O)CCc2cccs2)C1
InChIInChI=1S/C16H24N2O2S/c1-3-17-15(20)16(2)9-5-10-18(12-16)14(19)8-7-13-6-4-11-21-13/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,17,20)
InChIKeyGCMQAZTZPUKKSD-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide (CID 46943863) is N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide is CCNC(=O)C1(C)CCCN(C(=O)CCc2cccs2)C1.
What is the InChIKey of N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
The InChIKey is GCMQAZTZPUKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-17-15(20)16(2)9-5-10-18(12-16)14(19)8-7-13-6-4-11-21-13/h4,6,11H,3,5,7-10,12H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide?
N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46943863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).