N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide

C13H20N2O2S — CID 71786930

IUPACN-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-9-6-14-13(16)15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyDHUQLLCFJSHLJO-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.28
Rot. Bonds4

About N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide

N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide (PubChem CID 71786930) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
PubChem CID71786930
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-17-9-6-14-13(16)15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16)
InChIKeyDHUQLLCFJSHLJO-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
2-chloro-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82130314
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
N-(2-methoxyethyl)-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681278
N-(2-methoxyethyl)-4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 90540574
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
2-amino-1-(4-thiophen-2-ylpiperidin-1-yl)ethanone
CID 82128116
4-benzylsulfonyl-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 119105569
2-(2-methoxyethylamino)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119757336
N-(2-methoxyethyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105117
4-oxo-4-(4-thiophen-2-ylpiperidin-1-yl)butanoic acid
CID 82134002

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide (CID 71786930) is N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide is COCCNC(=O)N1CCC(c2cccs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide?
The InChIKey is DHUQLLCFJSHLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-9-6-14-13(16)15-7-4-11(5-8-15)12-3-2-10-18-12/h2-3,10-11H,4-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide?
N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-thiophen-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).