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

C20H23FN2O2S — CID 24794333

IUPAC1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)s1
InChIInChI=1S/C20H23FN2O2S/c1-14-5-7-18(26-14)12-22-20(25)16-6-8-19(24)23(13-16)10-9-15-3-2-4-17(21)11-15/h2-5,7,11,16H,6,8-10,12-13H2,1H3,(H,22,25)
InChIKeyCVHZQSCPSRQTTB-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.29
Rot. Bonds6

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

1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24794333) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24794333
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)s1
InChIInChI=1S/C20H23FN2O2S/c1-14-5-7-18(26-14)12-22-20(25)16-6-8-19(24)23(13-16)10-9-15-3-2-4-17(21)11-15/h2-5,7,11,16H,6,8-10,12-13H2,1H3,(H,22,25)
InChIKeyCVHZQSCPSRQTTB-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24794333) is 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)s1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is CVHZQSCPSRQTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14-5-7-18(26-14)12-22-20(25)16-6-8-19(24)23(13-16)10-9-15-3-2-4-17(21)11-15/h2-5,7,11,16H,6,8-10,12-13H2,1H3,(H,22,25).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24794333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).