1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C20H23ClN2O2S — CID 24791162

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C20H23ClN2O2S/c1-14-2-8-18(26-14)12-22-20(25)16-5-9-19(24)23(13-16)11-10-15-3-6-17(21)7-4-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,22,25)
InChIKeyASQBBMFLXFODGJ-UHFFFAOYSA-N
MW390.94 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24791162) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24791162
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C20H23ClN2O2S/c1-14-2-8-18(26-14)12-22-20(25)16-5-9-19(24)23(13-16)11-10-15-3-6-17(21)7-4-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,22,25)
InChIKeyASQBBMFLXFODGJ-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24791162) is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ASQBBMFLXFODGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-14-2-8-18(26-14)12-22-20(25)16-5-9-19(24)23(13-16)11-10-15-3-6-17(21)7-4-15/h2-4,6-8,16H,5,9-13H2,1H3,(H,22,25).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24791162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).