N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide

C20H22FN3O2 — CID 124846255

IUPACN-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)c1
InChIInChI=1S/C20H22FN3O2/c1-14-13-23(19-9-4-3-8-18(19)21)10-11-24(14)20(26)16-6-5-7-17(12-16)22-15(2)25/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyINIXJRUBCLAQNT-AWEZNQCLSA-N
MW355.41 g/mol
LogP3.13
Rot. Bonds3

About N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide

N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide (PubChem CID 124846255) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
PubChem CID124846255
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)c1
InChIInChI=1S/C20H22FN3O2/c1-14-13-23(19-9-4-3-8-18(19)21)10-11-24(14)20(26)16-6-5-7-17(12-16)22-15(2)25/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyINIXJRUBCLAQNT-AWEZNQCLSA-N
XLogP3.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2R)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 124743461
1-[4-[(3R)-4-(2,6-difluorobenzoyl)-3-methylpiperazin-1-yl]-3-fluorophenyl]ethanone
CID 1307415
N-(4-carbamoyl-3-fluorophenyl)-4-(2-fluorophenyl)-2-methylpiperazine-1-carboxamide
CID 119046286
N-[4-(2-methyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110741149
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 9483749
N-[3-(3,5-dimethyl-4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 110662564
N-[3-(3,4-dihydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 106671409
N-[3-(2,4-dimethyl-3-oxopiperazine-1-carbonyl)phenyl]acetamide
CID 110741190
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
[4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 136564992
N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]acetamide
CID 55178587
N-[3-(2-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 2937708

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide (CID 124846255) is N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1cccc(C(=O)N2CCN(c3ccccc3F)C[C@@H]2C)c1.
What is the InChIKey of N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide?
The InChIKey is INIXJRUBCLAQNT-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14-13-23(19-9-4-3-8-18(19)21)10-11-24(14)20(26)16-6-5-7-17(12-16)22-15(2)25/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide?
N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-4-(2-fluorophenyl)-2-methylpiperazine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 124846255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).