N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide

C18H23F2N3O2 — CID 134020822

IUPACN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3O2/c19-13-5-6-15(16(20)11-13)18(25)21-12-17(24)23-9-7-22(8-10-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,21,25)
InChIKeyOJUMDHUHXMEZTG-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.78
Rot. Bonds4

About N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide (PubChem CID 134020822) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
PubChem CID134020822
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
SMILESO=C(NCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C18H23F2N3O2/c19-13-5-6-15(16(20)11-13)18(25)21-12-17(24)23-9-7-22(8-10-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,21,25)
InChIKeyOJUMDHUHXMEZTG-UHFFFAOYSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
CID 127317600
N-[2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-oxoethyl]-2,4-difluorobenzamide
CID 46424827
2,4-difluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 51192228
2,4-difluoro-N-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 24596002
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 57442687
2,4-difluoro-N-[2-oxo-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 55638612
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide (CID 134020822) is N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide is O=C(NCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide?
The InChIKey is OJUMDHUHXMEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c19-13-5-6-15(16(20)11-13)18(25)21-12-17(24)23-9-7-22(8-10-23)14-3-1-2-4-14/h5-6,11,14H,1-4,7-10,12H2,(H,21,25).
What are the key properties of N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide?
N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide has a molecular weight of 351.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide is sourced from PubChem (CID 134020822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).