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

C18H22N2O2S — CID 134802086

IUPACmethyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18(21)19-16-7-9-20(10-8-16)13-14-4-2-5-15(12-14)17-6-3-11-23-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyADGWZOUPFKTTHG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.74
Rot. Bonds4

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

methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate (PubChem CID 134802086) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate
PubChem CID134802086
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Namemethyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1
InChIInChI=1S/C18H22N2O2S/c1-22-18(21)19-16-7-9-20(10-8-16)13-14-4-2-5-15(12-14)17-6-3-11-23-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21)
InChIKeyADGWZOUPFKTTHG-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-thiophen-2-yl-1,3-dihydro-imidazol-2-one
CID 10594242
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CID 2712605
N-(1-Benzyl-piperidin-4-yl)-2-thiophen-3-yl-acetamide
CID 10925078
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
2-(2-methylbutylamino)-1-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 71738783
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 9551603
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)pivalamide
CID 16195015
N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
CID 166630597
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 166634323
N-ethyl-N'-[1-(3-methylthiophen-2-yl)-2-phenylethyl]butanediamide
CID 72008466
N-[1-(1-phenylethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 72012173
2-[2-[[1-(3-Methylthiophen-2-yl)-2-phenylethyl]amino]-2-oxoethyl]sulfanylacetamide
CID 72130660

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate (CID 134802086) is methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate is COC(=O)NC1CCN(Cc2cccc(-c3cccs3)c2)CC1.
What is the InChIKey of methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is ADGWZOUPFKTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-22-18(21)19-16-7-9-20(10-8-16)13-14-4-2-5-15(12-14)17-6-3-11-23-17/h2-6,11-12,16H,7-10,13H2,1H3,(H,19,21).
What are the key properties of methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate?
methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 330.45 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[(3-thiophen-2-ylphenyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 134802086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).