3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

C22H26FN3O2 — CID 110616962

IUPAC3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCC(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16(15-18-5-3-4-6-20(18)23)21(27)24-19-9-7-17(8-10-19)22(28)26-13-11-25(2)12-14-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyMKLPTSNSILIYPV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.03
Rot. Bonds5

About 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide

3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 110616962) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID110616962
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
SMILESCC(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H26FN3O2/c1-16(15-18-5-3-4-6-20(18)23)21(27)24-19-9-7-17(8-10-19)22(28)26-13-11-25(2)12-14-26/h3-10,16H,11-15H2,1-2H3,(H,24,27)
InChIKeyMKLPTSNSILIYPV-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 99967673
3-[[4-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]benzoyl]amino]propanoic acid
CID 119223044
2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110609674
(2S)-2-(benzenesulfonamido)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 99967641
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110352215
[4-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 50973621
[4-[[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 95135521
N-(2,6-difluorophenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046211
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide (CID 110616962) is 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is CC(Cc1ccccc1F)C(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is MKLPTSNSILIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16(15-18-5-3-4-6-20(18)23)21(27)24-19-9-7-17(8-10-19)22(28)26-13-11-25(2)12-14-26/h3-10,16H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide?
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 110616962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).