2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide

C27H34F3N3O2 — CID 22086465

IUPAC2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(CNC(=O)C(c2ccc(O)cc2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H34F3N3O2/c1-19-15-20(17-22(16-19)27(28,29)30)18-31-26(35)25(21-7-9-24(34)10-8-21)33-13-11-32(12-14-33)23-5-3-2-4-6-23/h7-10,15-17,23,25,34H,2-6,11-14,18H2,1H3,(H,31,35)
InChIKeyUYFMLXJMEXQCPD-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.03
Rot. Bonds6

About 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide

2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 22086465) has the molecular formula C27H34F3N3O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID22086465
Molecular FormulaC27H34F3N3O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide
SMILESCc1cc(CNC(=O)C(c2ccc(O)cc2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C27H34F3N3O2/c1-19-15-20(17-22(16-19)27(28,29)30)18-31-26(35)25(21-7-9-24(34)10-8-21)33-13-11-32(12-14-33)23-5-3-2-4-6-23/h7-10,15-17,23,25,34H,2-6,11-14,18H2,1H3,(H,31,35)
InChIKeyUYFMLXJMEXQCPD-UHFFFAOYSA-N
XLogP5.03
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)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

Related Compounds

Bibp 3226
CID 5311023
H-Dmt-Tic-Gly-NH-Bzl
CID 10864183
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
Bibp-3435
CID 9869458
H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H
CID 44405653
H-Dmt-Tic-NH-(CH2)6-NH-Phe-H
CID 44405656
N(Me2)Tyr(2,6-diMe)-Tic-NHMe
CID 10835349
(S)-2-((S)-2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11682682
Frakefamide
CID 9829352
(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 23635163
Tyr-Pro-Phe-Phg-NH2
CID 44413074
Tyr-Pro-Phe-D-Phg-NH2
CID 44413117

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide (CID 22086465) is 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide is Cc1cc(CNC(=O)C(c2ccc(O)cc2)N2CCN(C3CCCCC3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is UYFMLXJMEXQCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O2/c1-19-15-20(17-22(16-19)27(28,29)30)18-31-26(35)25(21-7-9-24(34)10-8-21)33-13-11-32(12-14-33)23-5-3-2-4-6-23/h7-10,15-17,23,25,34H,2-6,11-14,18H2,1H3,(H,31,35).
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide?
2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-2-(4-hydroxyphenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 22086465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).