(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide

C14H18FN3O2 — CID 124978428

IUPAC(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-10(19)18-8-7-17(2)9-13(18)14(20)16-12-5-3-11(15)4-6-12/h3-6,13H,7-9H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyLTUBDOJTGNIQGE-ZDUSSCGKSA-N
MW279.31 g/mol
LogP0.93
Rot. Bonds2

About (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide

(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide (PubChem CID 124978428) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide
PubChem CID124978428
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(C)C[C@H]1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2/c1-10(19)18-8-7-17(2)9-13(18)14(20)16-12-5-3-11(15)4-6-12/h3-6,13H,7-9H2,1-2H3,(H,16,20)/t13-/m0/s1
InChIKeyLTUBDOJTGNIQGE-ZDUSSCGKSA-N
XLogP0.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide 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

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2R)-4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 124987342
1-N-(4-fluorophenyl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109142764
4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086720
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
(2R)-N-(4-fluorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865516
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-(4-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113190069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide (CID 124978428) is (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide is CC(=O)N1CCN(C)C[C@H]1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide?
The InChIKey is LTUBDOJTGNIQGE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10(19)18-8-7-17(2)9-13(18)14(20)16-12-5-3-11(15)4-6-12/h3-6,13H,7-9H2,1-2H3,(H,16,20)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide?
(2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(4-fluorophenyl)-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124978428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).