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

C20H27F2N3O2 — CID 134020823

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(NCCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2/c21-15-7-8-17(18(22)14-15)20(27)23-9-3-6-19(26)25-12-10-24(11-13-25)16-4-1-2-5-16/h7-8,14,16H,1-6,9-13H2,(H,23,27)
InChIKeyGGVVKHDZQHYDAH-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.56
Rot. Bonds6

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

N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide (PubChem CID 134020823) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
PubChem CID134020823
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
SMILESO=C(NCCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2/c21-15-7-8-17(18(22)14-15)20(27)23-9-3-6-19(26)25-12-10-24(11-13-25)16-4-1-2-5-16/h7-8,14,16H,1-6,9-13H2,(H,23,27)
InChIKeyGGVVKHDZQHYDAH-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethyl]-2,4-difluorobenzamide
CID 134020822
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
N-[4-[4-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119423550
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119416755
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119411680
2,4-difluoro-N-[4-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]benzamide
CID 55550622
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119485573
N-[4-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 26418691
N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
N-[4-(cyclopentylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 17487252
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880
2,4-difluoro-N-[4-[2-(4-methylpiperidin-1-yl)ethylamino]-4-oxobutyl]benzamide
CID 55717928

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide (CID 134020823) is N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide is O=C(NCCCC(=O)N1CCN(C2CCCC2)CC1)c1ccc(F)cc1F.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide?
The InChIKey is GGVVKHDZQHYDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c21-15-7-8-17(18(22)14-15)20(27)23-9-3-6-19(26)25-12-10-24(11-13-25)16-4-1-2-5-16/h7-8,14,16H,1-6,9-13H2,(H,23,27).
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide?
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide has a molecular weight of 379.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide is sourced from PubChem (CID 134020823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).