2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C24H28F3N3O4 — CID 27849605

IUPAC2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1
InChIInChI=1S/C24H28F3N3O4/c1-33-18-13-17(14-19(15-18)34-2)7-8-23(32)30-11-9-29(10-12-30)16-22(31)28-21-6-4-3-5-20(21)24(25,26)27/h3-6,13-15H,7-12,16H2,1-2H3,(H,28,31)
InChIKeyNXGUNTKESFSEIT-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 27849605) has the molecular formula C24H28F3N3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID27849605
Molecular FormulaC24H28F3N3O4
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1
InChIInChI=1S/C24H28F3N3O4/c1-33-18-13-17(14-19(15-18)34-2)7-8-23(32)30-11-9-29(10-12-30)16-22(31)28-21-6-4-3-5-20(21)24(25,26)27/h3-6,13-15H,7-12,16H2,1-2H3,(H,28,31)
InChIKeyNXGUNTKESFSEIT-UHFFFAOYSA-N
XLogP3.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Meppep
CID 25107855
4-(3,5-Dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2420253
(3R,5R)-5-[3-(fluoromethoxy)phenyl]-3-[[(1R)-1-phenylethyl]amino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 25107857
3,5-dimethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 1243032
(3,5-Dimethoxyphenyl)(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 646590
N~1~-{2-[4-(4-Methoxyphenyl)piperazino]-2-oxoethyl}-2-phenylacetamide
CID 2568912
N-(3,5-dimethoxyphenyl)-3-[1-(4-fluoro-3-methoxybenzyl)-3-piperidinyl]propanamide
CID 45223816
N-[4-[4-[2-(diethylamino)-1-(3-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]-3-fluorophenyl]-2-ethylbutanamide
CID 58870651
(3,5-Dimethoxy-phenyl)-[4-(2-fluoro-phenyl)-piperazin-1-yl]-methanone
CID 650236
Methyl 2-({[1-(3,5-dimethoxybenzoyl)-4-piperidinyl]carbonyl}amino)benzoate
CID 1072843
3,5-dimethoxy-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
CID 2096282
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 2540607

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 27849605) is 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is COc1cc(CCC(=O)N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc(OC)c1.
What is the InChIKey of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NXGUNTKESFSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4/c1-33-18-13-17(14-19(15-18)34-2)7-8-23(32)30-11-9-29(10-12-30)16-22(31)28-21-6-4-3-5-20(21)24(25,26)27/h3-6,13-15H,7-12,16H2,1-2H3,(H,28,31).
What are the key properties of 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 479.50 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 27849605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).