N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide

C17H21F2N3O2 — CID 127317600

IUPACN-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(NCC(=O)N1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3O2/c18-13-8-12(9-14(19)10-13)17(24)20-11-16(23)22-6-4-21(5-7-22)15-2-1-3-15/h8-10,15H,1-7,11H2,(H,20,24)
InChIKeyIXUINSCRXHOKQD-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.39
Rot. Bonds4

About N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 127317600) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID127317600
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC NameN-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(NCC(=O)N1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C17H21F2N3O2/c18-13-8-12(9-14(19)10-13)17(24)20-11-16(23)22-6-4-21(5-7-22)15-2-1-3-15/h8-10,15H,1-7,11H2,(H,20,24)
InChIKeyIXUINSCRXHOKQD-UHFFFAOYSA-N
XLogP1.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99824173
3-fluoro-5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 115736842
3-bromo-5-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61175305
N-[2-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyridin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
CID 97244718
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 154743258
1-[2-[(3,5-difluorobenzoyl)amino]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 56581809
N-[2-[4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-2-oxoethyl]-3,5-difluorobenzamide
CID 75442082
(3,5-difluorophenyl)-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 97010440
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide (CID 127317600) is N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide is O=C(NCC(=O)N1CCN(C2CCC2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is IXUINSCRXHOKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c18-13-8-12(9-14(19)10-13)17(24)20-11-16(23)22-6-4-21(5-7-22)15-2-1-3-15/h8-10,15H,1-7,11H2,(H,20,24).
What are the key properties of N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 337.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 127317600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).