5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide

C18H26FN3O2 — CID 100634527

IUPAC5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C
InChIInChI=1S/C18H26FN3O2/c1-14-12-21(13-15-6-8-16(19)9-7-15)10-11-22(14)18(24)5-3-4-17(23)20-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyNXZPKGGAAJQRRN-CQSZACIVSA-N
MW335.42 g/mol
LogP1.77
Rot. Bonds6

About 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide

5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide (PubChem CID 100634527) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide
PubChem CID100634527
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)CCCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C
InChIInChI=1S/C18H26FN3O2/c1-14-12-21(13-15-6-8-16(19)9-7-15)10-11-22(14)18(24)5-3-4-17(23)20-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyNXZPKGGAAJQRRN-CQSZACIVSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide 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

2-(4-chloroanilino)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264535
2-(4-chlorophenoxy)-1-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 57041886
N-[5-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 22263865
2-(3-amino-4-chlorophenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 22264287
5-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methyl-5-oxopentanamide
CID 99788500
2-[2-(aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 18768109
5-chloro-2-[2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]benzenesulfonic acid
CID 11775459
2-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 99784351
methyl 5-chloro-2-[(E)-3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]benzoate
CID 10410466
methyl 2-[5-chloro-2-[(E)-3-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetate
CID 10456154
tert-butyl (2S)-4-[[4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 59532413
3-[[4-chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethoxy]phenyl]carbamoylamino]propanoic acid
CID 10118180

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide (CID 100634527) is 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide is CNC(=O)CCCC(=O)N1CCN(Cc2ccc(F)cc2)C[C@H]1C.
What is the InChIKey of 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide?
The InChIKey is NXZPKGGAAJQRRN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14-12-21(13-15-6-8-16(19)9-7-15)10-11-22(14)18(24)5-3-4-17(23)20-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide?
5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide has a molecular weight of 335.42 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 100634527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).