N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C22H24FN3O3S — CID 86941087

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)c2cccs2)C1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O3S/c1-24(18-10-12-26(21(18)28)17-8-3-2-7-16(17)23)20(27)15-6-4-11-25(14-15)22(29)19-9-5-13-30-19/h2-3,5,7-9,13,15,18H,4,6,10-12,14H2,1H3
InChIKeyGTFJPLWJZMKCMZ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 86941087) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID86941087
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(C(=O)c2cccs2)C1)C1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C22H24FN3O3S/c1-24(18-10-12-26(21(18)28)17-8-3-2-7-16(17)23)20(27)15-6-4-11-25(14-15)22(29)19-9-5-13-30-19/h2-3,5,7-9,13,15,18H,4,6,10-12,14H2,1H3
InChIKeyGTFJPLWJZMKCMZ-UHFFFAOYSA-N
XLogP3.00
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3R)-1-(2-fluorophenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292395
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86965741
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947669

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 86941087) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CN(C(=O)C1CCCN(C(=O)c2cccs2)C1)C1CCN(c2ccccc2F)C1=O.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is GTFJPLWJZMKCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-24(18-10-12-26(21(18)28)17-8-3-2-7-16(17)23)20(27)15-6-4-11-25(14-15)22(29)19-9-5-13-30-19/h2-3,5,7-9,13,15,18H,4,6,10-12,14H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 86941087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).