2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide

C18H25F3N4O — CID 87540006

IUPAC2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)C(F)(F)F)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C18H25F3N4O/c1-23-9-11-24(12-10-23)14-5-6-15(22-17(26)18(19,20)21)16(13-14)25-7-3-2-4-8-25/h5-6,13H,2-4,7-12H2,1H3,(H,22,26)
InChIKeyBVDOCKVEPAZDAB-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.93
Rot. Bonds3

About 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide

2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide (PubChem CID 87540006) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
PubChem CID87540006
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)C(F)(F)F)c(N3CCCCC3)c2)CC1
InChIInChI=1S/C18H25F3N4O/c1-23-9-11-24(12-10-23)14-5-6-15(22-17(26)18(19,20)21)16(13-14)25-7-3-2-4-8-25/h5-6,13H,2-4,7-12H2,1H3,(H,22,26)
InChIKeyBVDOCKVEPAZDAB-UHFFFAOYSA-N
XLogP2.93
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]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-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide (CID 87540006) is 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide is CN1CCN(c2ccc(NC(=O)C(F)(F)F)c(N3CCCCC3)c2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
The InChIKey is BVDOCKVEPAZDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-23-9-11-24(12-10-23)14-5-6-15(22-17(26)18(19,20)21)16(13-14)25-7-3-2-4-8-25/h5-6,13H,2-4,7-12H2,1H3,(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide?
2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide has a molecular weight of 370.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]acetamide is sourced from PubChem (CID 87540006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).