2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide

C20H22FN3O2S — CID 126785518

IUPAC2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2cccs2)CC1)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C20H22FN3O2S/c21-17-6-5-15(24-9-1-3-18(24)25)13-16(17)20(26)22-14-7-10-23(11-8-14)19-4-2-12-27-19/h2,4-6,12-14H,1,3,7-11H2,(H,22,26)
InChIKeyVKNNVMRXTFMNBK-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.41
Rot. Bonds4

About 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide

2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide (PubChem CID 126785518) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
PubChem CID126785518
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC Name2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(c2cccs2)CC1)c1cc(N2CCCC2=O)ccc1F
InChIInChI=1S/C20H22FN3O2S/c21-17-6-5-15(24-9-1-3-18(24)25)13-16(17)20(26)22-14-7-10-23(11-8-14)19-4-2-12-27-19/h2,4-6,12-14H,1,3,7-11H2,(H,22,26)
InChIKeyVKNNVMRXTFMNBK-UHFFFAOYSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopentyl)-2-fluoro-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439234
N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 71921793
2-fluoro-N-(3-hydroxy-4-methylpentyl)-5-(2-oxopyrrolidin-1-yl)benzamide
CID 111460652
N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
4-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229675
(2R,3R)-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]-2-methyl-3-phenylpropanoic acid
CID 124696081
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-(2-aminocyclopentyl)-2-fluoro-4-(2-oxopiperidin-1-yl)benzamide
CID 69440309
(2S)-2-benzyl-3-[[2-fluoro-5-(2-oxopyrrolidin-1-yl)benzoyl]amino]propanoic acid
CID 125152279
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
1-[2-fluoro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-[2-(thiophen-2-ylmethylsulfanyl)ethyl]urea
CID 47051092
1-[3-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]-4-fluorophenyl]pyrrolidin-2-one
CID 124590598

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide (CID 126785518) is 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide is O=C(NC1CCN(c2cccs2)CC1)c1cc(N2CCCC2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide?
The InChIKey is VKNNVMRXTFMNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c21-17-6-5-15(24-9-1-3-18(24)25)13-16(17)20(26)22-14-7-10-23(11-8-14)19-4-2-12-27-19/h2,4-6,12-14H,1,3,7-11H2,(H,22,26).
What are the key properties of 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide?
2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-oxopyrrolidin-1-yl)-N-(1-thiophen-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 126785518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).