3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide

C26H28FN3O — CID 59262227

IUPAC3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3cccc(-c4ccc(F)cc4)c3)cc2)CCN1
InChIInChI=1S/C26H28FN3O/c1-19-17-30(15-14-28-19)18-20-6-12-25(13-7-20)29(2)26(31)23-5-3-4-22(16-23)21-8-10-24(27)11-9-21/h3-13,16,19,28H,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeyYHONSAIXWFVELO-IBGZPJMESA-N
MW417.53 g/mol
LogP4.56
Rot. Bonds5

About 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide

3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide (PubChem CID 59262227) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide
PubChem CID59262227
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide
SMILESC[C@H]1CN(Cc2ccc(N(C)C(=O)c3cccc(-c4ccc(F)cc4)c3)cc2)CCN1
InChIInChI=1S/C26H28FN3O/c1-19-17-30(15-14-28-19)18-20-6-12-25(13-7-20)29(2)26(31)23-5-3-4-22(16-23)21-8-10-24(27)11-9-21/h3-13,16,19,28H,14-15,17-18H2,1-2H3/t19-/m0/s1
InChIKeyYHONSAIXWFVELO-IBGZPJMESA-N
XLogP4.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]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

6-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-2-carboxamide
CID 59262151
N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 23728911
N-[3-fluoro-4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 23728731
N,2,6-trimethyl-N-[4-[(3-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 143600558
6-(2-cyanophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 23728660
N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-[(3-methylpiperazin-1-yl)methyl]benzamide
CID 11672482
N-[[2-fluoro-5-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]-3-piperidin-4-ylbenzamide
CID 11649025
N-[(4-fluorophenyl)methyl]-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924446
4-(4-cyanoanilino)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]piperidine-1-carboxamide
CID 23661376
N-[[3-[3-[(3-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 11341940
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide (CID 59262227) is 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide is C[C@H]1CN(Cc2ccc(N(C)C(=O)c3cccc(-c4ccc(F)cc4)c3)cc2)CCN1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide?
The InChIKey is YHONSAIXWFVELO-IBGZPJMESA-N. The full InChI is InChI=1S/C26H28FN3O/c1-19-17-30(15-14-28-19)18-20-6-12-25(13-7-20)29(2)26(31)23-5-3-4-22(16-23)21-8-10-24(27)11-9-21/h3-13,16,19,28H,14-15,17-18H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide?
3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 59262227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).