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

C22H28FN3O — CID 55841098

IUPAC3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-25-12-14-26(15-13-25)17-20-4-2-19(3-5-20)16-24-22(27)11-8-18-6-9-21(23)10-7-18/h2-7,9-10H,8,11-17H2,1H3,(H,24,27)
InChIKeyJIOBJTIRFUCDEL-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.82
Rot. Bonds7

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

3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 55841098) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID55841098
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCN1CCN(Cc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-25-12-14-26(15-13-25)17-20-4-2-19(3-5-20)16-24-22(27)11-8-18-6-9-21(23)10-7-18/h2-7,9-10H,8,11-17H2,1H3,(H,24,27)
InChIKeyJIOBJTIRFUCDEL-UHFFFAOYSA-N
XLogP2.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
3-(4-fluorophenyl)-N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]propanamide
CID 91760690
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
CID 110730559
2-bromo-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 139912851
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (CID 55841098) is 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is CN1CCN(Cc2ccc(CNC(=O)CCc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is JIOBJTIRFUCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25-12-14-26(15-13-25)17-20-4-2-19(3-5-20)16-24-22(27)11-8-18-6-9-21(23)10-7-18/h2-7,9-10H,8,11-17H2,1H3,(H,24,27).
What are the key properties of 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 369.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55841098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).