N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide

C25H29F2N3O2 — CID 86944988

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C25H29F2N3O2/c26-21-8-5-18(6-9-21)20-7-10-22(23(27)17-20)24(31)28-11-12-29-13-15-30(16-14-29)25(32)19-3-1-2-4-19/h5-10,17,19H,1-4,11-16H2,(H,28,31)
InChIKeyMADLYBALOIJCCI-UHFFFAOYSA-N
MW441.52 g/mol
LogP3.70
Rot. Bonds6

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide (PubChem CID 86944988) has the molecular formula C25H29F2N3O2 and a molecular weight of 441.52 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
PubChem CID86944988
Molecular FormulaC25H29F2N3O2
Molecular Weight441.52 g/mol
Exact Mass441.22
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
SMILESO=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C25H29F2N3O2/c26-21-8-5-18(6-9-21)20-7-10-22(23(27)17-20)24(31)28-11-12-29-13-15-30(16-14-29)25(32)19-3-1-2-4-19/h5-10,17,19H,1-4,11-16H2,(H,28,31)
InChIKeyMADLYBALOIJCCI-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
CID 78892291
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-fluorophenoxy)butanamide
CID 86944684
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-9-oxofluorene-2-carboxamide
CID 86944761
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
CID 86944885
2-fluoro-4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 154794863
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(3,4-difluorophenoxy)propanamide
CID 86944832
2-(2-cyanophenyl)-N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 86944965
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide (CID 86944988) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide is O=C(NCCN1CCN(C(=O)C2CCCC2)CC1)c1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide?
The InChIKey is MADLYBALOIJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O2/c26-21-8-5-18(6-9-21)20-7-10-22(23(27)17-20)24(31)28-11-12-29-13-15-30(16-14-29)25(32)19-3-1-2-4-19/h5-10,17,19H,1-4,11-16H2,(H,28,31).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide has a molecular weight of 441.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 86944988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).