N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

C20H23FN2O2S — CID 53117202

IUPACN-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C20H23FN2O2S/c1-20(19(25)22-13-15-5-2-6-16(21)11-15)8-4-9-23(14-20)18(24)12-17-7-3-10-26-17/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3,(H,22,25)
InChIKeyDZSKGPYPJLKZRA-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.37
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 53117202) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
PubChem CID53117202
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C20H23FN2O2S/c1-20(19(25)22-13-15-5-2-6-16(21)11-15)8-4-9-23(14-20)18(24)12-17-7-3-10-26-17/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3,(H,22,25)
InChIKeyDZSKGPYPJLKZRA-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
(5E)-1-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 5418979
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
4-(4-Fluoro-phenyl)-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11269915
4-(4-Fluoro-phenyl)-8-(1-thiophen-3-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 11441323
N-(4-fluorobenzyl)-3-methylthiophene-2-carboxamide
CID 5237273
N-[(4-methylphenyl)methyl]-2-(thiophen-2-yl)acetamide
CID 670058
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
Piperidine-1,4-dicarboxylic acid 1-benzylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 3222750

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (CID 53117202) is N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is CC1(C(=O)NCc2cccc(F)c2)CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is DZSKGPYPJLKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-20(19(25)22-13-15-5-2-6-16(21)11-15)8-4-9-23(14-20)18(24)12-17-7-3-10-26-17/h2-3,5-7,10-11H,4,8-9,12-14H2,1H3,(H,22,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 53117202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).