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

C20H23FN2O2S — CID 72873492

IUPAC1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2S/c1-14-9-10-26-18(14)13-22(2)20(25)16-7-8-19(24)23(12-16)11-15-5-3-4-6-17(15)21/h3-6,9-10,16H,7-8,11-13H2,1-2H3
InChIKeyVMNYYMWNJZHACI-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.59
Rot. Bonds5

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

1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 72873492) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID72873492
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccsc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2S/c1-14-9-10-26-18(14)13-22(2)20(25)16-7-8-19(24)23(12-16)11-15-5-3-4-6-17(15)21/h3-6,9-10,16H,7-8,11-13H2,1-2H3
InChIKeyVMNYYMWNJZHACI-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-[(2-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42593770
(3R)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxopiperidine-3-carboxamide
CID 51903346
(3R)-N-[3-[cyclopentyl(methyl)amino]propyl]-1-[(2-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25281331
1-[(2-fluorophenyl)methyl]-6-oxo-N-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxamide
CID 24790737
(3S)-1-[(4-chlorophenyl)methyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42362724
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
1-[(2-fluorophenyl)methyl]-6-oxo-N-(4-pyrrolidin-1-ylbutyl)piperidine-3-carboxamide
CID 72852888
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
(3S)-1-[(2-fluorophenyl)methyl]-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-6-oxopiperidine-3-carboxamide
CID 97114771
(3S)-1-[(2-fluorophenyl)methyl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxopiperidine-3-carboxamide
CID 25366722
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 42304508
(3S)-1-[(3-fluorophenyl)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098510

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 72873492) is 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccsc1CN(C)C(=O)C1CCC(=O)N(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is VMNYYMWNJZHACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-14-9-10-26-18(14)13-22(2)20(25)16-7-8-19(24)23(12-16)11-15-5-3-4-6-17(15)21/h3-6,9-10,16H,7-8,11-13H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 72873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).