N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide

C18H22N2OS — CID 134800849

IUPACN-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C18H22N2OS/c1-14(21)19-17-7-9-20(10-8-17)13-15-4-2-5-16(12-15)18-6-3-11-22-18/h2-6,11-12,17H,7-10,13H2,1H3,(H,19,21)
InChIKeyYXSDKXWWNTXTKU-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.52
Rot. Bonds4

About N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide

N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 134800849) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID134800849
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C18H22N2OS/c1-14(21)19-17-7-9-20(10-8-17)13-15-4-2-5-16(12-15)18-6-3-11-22-18/h2-6,11-12,17H,7-10,13H2,1H3,(H,19,21)
InChIKeyYXSDKXWWNTXTKU-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[1-(3,4-dimethylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971490
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4779994
3-(2,4-dimethylphenyl)-N-(2-thienylmethyl)acrylamide
CID 6085579
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5,5-di-(2-thienyl)-imidazolidin-2-one
CID 16124706
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
(E)-N-benzyl-3-(thiophen-2-yl)acrylamide
CID 2146492

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 134800849) is N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1.
What is the InChIKey of N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is YXSDKXWWNTXTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14(21)19-17-7-9-20(10-8-17)13-15-4-2-5-16(12-15)18-6-3-11-22-18/h2-6,11-12,17H,7-10,13H2,1H3,(H,19,21).
What are the key properties of N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 314.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134800849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).