2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C29H33F2N3O — CID 19827122

IUPAC2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2C)c(C)c1
InChIInChI=1S/C29H33F2N3O/c1-19-15-20(2)28(21(3)16-19)32-27(35)18-33-13-14-34(17-22(33)4)29(23-5-9-25(30)10-6-23)24-7-11-26(31)12-8-24/h5-12,15-16,22,29H,13-14,17-18H2,1-4H3,(H,32,35)
InChIKeyUDSDNUHTPRMJAG-UHFFFAOYSA-N
MW477.60 g/mol
LogP5.62
Rot. Bonds6

About 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 19827122) has the molecular formula C29H33F2N3O and a molecular weight of 477.60 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID19827122
Molecular FormulaC29H33F2N3O
Molecular Weight477.60 g/mol
Exact Mass477.26
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2C)c(C)c1
InChIInChI=1S/C29H33F2N3O/c1-19-15-20(2)28(21(3)16-19)32-27(35)18-33-13-14-34(17-22(33)4)29(23-5-9-25(30)10-6-23)24-7-11-26(31)12-8-24/h5-12,15-16,22,29H,13-14,17-18H2,1-4H3,(H,32,35)
InChIKeyUDSDNUHTPRMJAG-UHFFFAOYSA-N
XLogP5.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 15143638
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
2-[(2R)-4-[(2,4-difluorophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid
CID 68930449
N-(4-acetyl-2,6-dichlorophenyl)-2-[4-[5,5-bis(4-fluorophenyl)pentyl]-2-methylpiperazin-1-yl]acetamide;dihydrochloride
CID 86744880
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(2,4,6-trimethylphenyl)propanamide
CID 133255204
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
2-(2,5-dimethylmorpholin-4-yl)-N-(2,6-dimethylphenyl)acetamide
CID 86928374
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 171702269
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8930661

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 19827122) is 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2C)c(C)c1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is UDSDNUHTPRMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N3O/c1-19-15-20(2)28(21(3)16-19)32-27(35)18-33-13-14-34(17-22(33)4)29(23-5-9-25(30)10-6-23)24-7-11-26(31)12-8-24/h5-12,15-16,22,29H,13-14,17-18H2,1-4H3,(H,32,35).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 477.60 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 19827122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).