N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

C23H32FN3O4S — CID 43061886

IUPACN-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(CC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H32FN3O4S/c24-18-7-5-17(6-8-18)23(29)25-19-9-12-26(13-10-19)15-22(28)27(20-3-1-2-4-20)21-11-14-32(30,31)16-21/h5-8,19-21H,1-4,9-16H2,(H,25,29)
InChIKeyCOQXXANGOYMHNP-UHFFFAOYSA-N
MW465.59 g/mol
LogP1.98
Rot. Bonds6

About N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 43061886) has the molecular formula C23H32FN3O4S and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID43061886
Molecular FormulaC23H32FN3O4S
Molecular Weight465.59 g/mol
Exact Mass465.21
IUPAC NameN-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(CC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H32FN3O4S/c24-18-7-5-17(6-8-18)23(29)25-19-9-12-26(13-10-19)15-22(28)27(20-3-1-2-4-20)21-11-14-32(30,31)16-21/h5-8,19-21H,1-4,9-16H2,(H,25,29)
InChIKeyCOQXXANGOYMHNP-UHFFFAOYSA-N
XLogP1.98
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide with MolForge

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 45356009
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 7478334
2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 48940020
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34790921
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919657
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 41046019
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 24562248
2-(4-benzylsulfonylpiperazin-1-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 41290721
4-[[[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125157
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30633266

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (CID 43061886) is N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(CC(=O)N(C2CCCC2)C2CCS(=O)(=O)C2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is COQXXANGOYMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O4S/c24-18-7-5-17(6-8-18)23(29)25-19-9-12-26(13-10-19)15-22(28)27(20-3-1-2-4-20)21-11-14-32(30,31)16-21/h5-8,19-21H,1-4,9-16H2,(H,25,29).
What are the key properties of N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 465.59 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 43061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).