N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide

C20H26N2OS — CID 46054717

IUPACN-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)C2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-17-4-6-19(7-5-17)22(16(2)23)20-8-11-21(12-9-20)14-18-10-13-24-15-18/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3
InChIKeyJQEHGLLYVFPWDB-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.33
Rot. Bonds5

About N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide

N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 46054717) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
PubChem CID46054717
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC NameN-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
SMILESCCc1ccc(N(C(C)=O)C2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-17-4-6-19(7-5-17)22(16(2)23)20-8-11-21(12-9-20)14-18-10-13-24-15-18/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3
InChIKeyJQEHGLLYVFPWDB-UHFFFAOYSA-N
XLogP4.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 46054712
ethyl N-methyl-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]carbamate
CID 75439221
N-(4-ethylphenyl)-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42856586
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-(pyrimidin-5-ylmethyl)-N-[(4S)-1-(thiophen-3-ylmethyl)azepan-4-yl]acetamide
CID 129336414
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
N-(4-ethylphenyl)-N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]butanamide
CID 46054963
N-(3,4-dimethoxyphenyl)-N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]acetamide
CID 46054543

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide (CID 46054717) is N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide is CCc1ccc(N(C(C)=O)C2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is JQEHGLLYVFPWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-17-4-6-19(7-5-17)22(16(2)23)20-8-11-21(12-9-20)14-18-10-13-24-15-18/h4-7,10,13,15,20H,3,8-9,11-12,14H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide?
N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 342.51 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46054717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).