4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide

C16H26N2OS — CID 80527342

IUPAC4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)c2cccs2)CCNCC1
InChIInChI=1S/C16H26N2OS/c1-4-16(7-9-17-10-8-16)14(19)18-12-15(2,3)13-6-5-11-20-13/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,19)
InChIKeyHPIIIBNRRAJBKH-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.92
Rot. Bonds5

About 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide

4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 80527342) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID80527342
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCCC1(C(=O)NCC(C)(C)c2cccs2)CCNCC1
InChIInChI=1S/C16H26N2OS/c1-4-16(7-9-17-10-8-16)14(19)18-12-15(2,3)13-6-5-11-20-13/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,19)
InChIKeyHPIIIBNRRAJBKH-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 80527272
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119945485
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106975525
1-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)cycloheptane-1-carboxamide
CID 80526850
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
2-(1-aminocyclobutyl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527308
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-(1,4-diazepan-1-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)acetamide
CID 80527451
2-[3-[(2-methyl-2-thiophen-2-ylpropyl)amino]azetidin-3-yl]acetic acid
CID 107142876
2-cyano-N-(2-methyl-2-thiophen-2-ylpropyl)-2-propylpentanamide
CID 80526849
N-(2-methyl-2-thiophen-2-ylpropyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032820

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 80527342) is 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide is CCC1(C(=O)NCC(C)(C)c2cccs2)CCNCC1.
What is the InChIKey of 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is HPIIIBNRRAJBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-16(7-9-17-10-8-16)14(19)18-12-15(2,3)13-6-5-11-20-13/h5-6,11,17H,4,7-10,12H2,1-3H3,(H,18,19).
What are the key properties of 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide?
4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 80527342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).