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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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-N-[2-(3-methyl-2-thienyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24819293
1-(4-Oxo-4-(thiophen-2-yl)butanoyl)piperidine-3-carboxamide
CID 4878804
N~1~,N~1~-dimethyl-N~3~-(thien-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 3242124
(E)-N-(3-aminopropyl)-N-(2-methyl-3-phenylallyl)-4-(thiophen-2-yl)butanamide
CID 44434605
N-[2-(thiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 1508406
Cambridge id 7020648
CID 2924363
1-(pyrrolidine-1-carbonyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-3-carboxamide
CID 47030902
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 53117202
8-(2-methoxyethyl)-9-oxo-N-[2-(2-thienyl)ethyl]-2,8-diazaspiro[5.5]undecane-2-carboxamide
CID 70787317
N-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)acetamide
CID 71787066
4-[acetyl(methyl)amino]-N-(2-methyl-3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 71867985

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).