2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

C17H28F3N3O2 — CID 67074286

IUPAC2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(C(=O)NC1CCC(C(F)(F)F)CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H28F3N3O2/c1-3-15(23-10-8-22(9-11-23)12(2)24)16(25)21-14-6-4-13(5-7-14)17(18,19)20/h13-15H,3-11H2,1-2H3,(H,21,25)
InChIKeyDZPFTLOQYVLWFE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.17
Rot. Bonds4

About 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide

2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 67074286) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID67074286
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide
SMILESCCC(C(=O)NC1CCC(C(F)(F)F)CC1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H28F3N3O2/c1-3-15(23-10-8-22(9-11-23)12(2)24)16(25)21-14-6-4-13(5-7-14)17(18,19)20/h13-15H,3-11H2,1-2H3,(H,21,25)
InChIKeyDZPFTLOQYVLWFE-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide (CID 67074286) is 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is CCC(C(=O)NC1CCC(C(F)(F)F)CC1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is DZPFTLOQYVLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O2/c1-3-15(23-10-8-22(9-11-23)12(2)24)16(25)21-14-6-4-13(5-7-14)17(18,19)20/h13-15H,3-11H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide?
2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 363.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 67074286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).