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

C16H26N2OS — CID 63130877

IUPAC3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NC(c2cccs2)C(C)C)CCCNC1
InChIInChI=1S/C16H26N2OS/c1-4-16(8-6-9-17-11-16)15(19)18-14(12(2)3)13-7-5-10-20-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3,(H,18,19)
InChIKeyXFCGGGMHDBOYQI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.34
Rot. Bonds5

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

3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 63130877) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
PubChem CID63130877
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
SMILESCCC1(C(=O)NC(c2cccs2)C(C)C)CCCNC1
InChIInChI=1S/C16H26N2OS/c1-4-16(8-6-9-17-11-16)15(19)18-14(12(2)3)13-7-5-10-20-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3,(H,18,19)
InChIKeyXFCGGGMHDBOYQI-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
3-ethyl-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
CID 63134948
N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
2-[1-[(3-ethylpiperidine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379247
3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
N-[cyclopropyl(phenyl)methyl]-3-ethylpiperidine-3-carboxamide
CID 63131063
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
1-carbamothioyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclopropane-1-carboxamide
CID 80589392
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide (CID 63130877) is 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide is CCC1(C(=O)NC(c2cccs2)C(C)C)CCCNC1.
What is the InChIKey of 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is XFCGGGMHDBOYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-16(8-6-9-17-11-16)15(19)18-14(12(2)3)13-7-5-10-20-13/h5,7,10,12,14,17H,4,6,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide?
3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 63130877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).