2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

C26H27F4N3O3 — CID 87326875

IUPAC2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCO)c12
InChIInChI=1S/C26H27F4N3O3/c1-16-3-2-4-19-21(15-33(11-12-34)23(16)19)24(35)32-9-7-18(8-10-32)20-13-17(5-6-22(20)27)14-31-25(36)26(28,29)30/h2-6,13,15,18,34H,7-12,14H2,1H3,(H,31,36)
InChIKeyIOZSSGQOJDNOLJ-UHFFFAOYSA-N
MW505.51 g/mol
LogP4.28
Rot. Bonds6

About 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (PubChem CID 87326875) has the molecular formula C26H27F4N3O3 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
PubChem CID87326875
Molecular FormulaC26H27F4N3O3
Molecular Weight505.51 g/mol
Exact Mass505.20
IUPAC Name2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
SMILESCc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCO)c12
InChIInChI=1S/C26H27F4N3O3/c1-16-3-2-4-19-21(15-33(11-12-34)23(16)19)24(35)32-9-7-18(8-10-32)20-13-17(5-6-22(20)27)14-31-25(36)26(28,29)30/h2-6,13,15,18,34H,7-12,14H2,1H3,(H,31,36)
InChIKeyIOZSSGQOJDNOLJ-UHFFFAOYSA-N
XLogP4.28
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide 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 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide (CID 87326875) is 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is Cc1cccc2c(C(=O)N3CCC(c4cc(CNC(=O)C(F)(F)F)ccc4F)CC3)cn(CCO)c12.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?
The InChIKey is IOZSSGQOJDNOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N3O3/c1-16-3-2-4-19-21(15-33(11-12-34)23(16)19)24(35)32-9-7-18(8-10-32)20-13-17(5-6-22(20)27)14-31-25(36)26(28,29)30/h2-6,13,15,18,34H,7-12,14H2,1H3,(H,31,36).
What are the key properties of 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide has a molecular weight of 505.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-fluoro-3-[1-[1-(2-hydroxyethyl)-7-methylindole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 87326875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).