N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide

C26H33F3N4O3 — CID 146615287

IUPACN-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OC(C)C
InChIInChI=1S/C26H33F3N4O3/c1-5-24(34)31-22-14-18(7-9-23(22)36-17(2)3)25(35)30-20-8-6-19(21(15-20)26(27,28)29)16-33-12-10-32(4)11-13-33/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyRYZQDZKWVILWQB-UHFFFAOYSA-N
MW506.57 g/mol
LogP4.84
Rot. Bonds8

About N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide

N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide (PubChem CID 146615287) has the molecular formula C26H33F3N4O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide
PubChem CID146615287
Molecular FormulaC26H33F3N4O3
Molecular Weight506.57 g/mol
Exact Mass506.25
IUPAC NameN-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OC(C)C
InChIInChI=1S/C26H33F3N4O3/c1-5-24(34)31-22-14-18(7-9-23(22)36-17(2)3)25(35)30-20-8-6-19(21(15-20)26(27,28)29)16-33-12-10-32(4)11-13-33/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,30,35)(H,31,34)
InChIKeyRYZQDZKWVILWQB-UHFFFAOYSA-N
XLogP4.84
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide (CID 146615287) is N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide is CCC(=O)Nc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1OC(C)C.
What is the InChIKey of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide?
The InChIKey is RYZQDZKWVILWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O3/c1-5-24(34)31-22-14-18(7-9-23(22)36-17(2)3)25(35)30-20-8-6-19(21(15-20)26(27,28)29)16-33-12-10-32(4)11-13-33/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,30,35)(H,31,34).
What are the key properties of N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide?
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide has a molecular weight of 506.57 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(propanoylamino)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 146615287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).