3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

C18H20Cl2N2OS — CID 16896234

IUPAC3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2OS/c19-16-4-3-14(10-17(16)20)18(23)21-11-13-5-7-22(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,23)
InChIKeyBWDDFXFZELLMKT-UHFFFAOYSA-N
MW383.34 g/mol
LogP4.70
Rot. Bonds5

About 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide

3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16896234) has the molecular formula C18H20Cl2N2OS and a molecular weight of 383.34 g/mol. Its IUPAC name is 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16896234
Molecular FormulaC18H20Cl2N2OS
Molecular Weight383.34 g/mol
Exact Mass382.07
IUPAC Name3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H20Cl2N2OS/c19-16-4-3-14(10-17(16)20)18(23)21-11-13-5-7-22(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,23)
InChIKeyBWDDFXFZELLMKT-UHFFFAOYSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 59074854
3-(2,2-dimethylpropanoylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 49056474
3-(2-chlorophenyl)-5-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-1,2-oxazole-4-carboxamide
CID 16896214
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2-(trifluoromethyl)benzamide
CID 16896225
1-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 136525348
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16896234) is 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2cccs2)CC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is BWDDFXFZELLMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2OS/c19-16-4-3-14(10-17(16)20)18(23)21-11-13-5-7-22(8-6-13)12-15-2-1-9-24-15/h1-4,9-10,13H,5-8,11-12H2,(H,21,23).
What are the key properties of 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide?
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 383.34 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16896234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).