N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C18H24F3N3O2 — CID 86993491

IUPACN-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)N(C)C(=O)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O2/c1-13(2)22(3)16(25)12-23-7-9-24(10-8-23)17(26)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyJZKGDHGYJDUYBE-UHFFFAOYSA-N
MW371.40 g/mol
LogP2.33
Rot. Bonds4

About N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 86993491) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID86993491
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC NameN-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)N(C)C(=O)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N3O2/c1-13(2)22(3)16(25)12-23-7-9-24(10-8-23)17(26)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyJZKGDHGYJDUYBE-UHFFFAOYSA-N
XLogP2.33
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 57442744
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
1-[3-(trifluoromethyl)benzoyl]piperidin-4-one
CID 3815225
1-[2-oxo-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47043284
2-amino-3-methoxy-1-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-1-one
CID 120986261
[4-(2-ethylsulfonylbenzoyl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 55747004
(4-aminophenyl)-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone;hydrochloride
CID 119720545
N-methyl-N-phenyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 27183288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 86993491) is N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is CC(C)N(C)C(=O)CN1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is JZKGDHGYJDUYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-13(2)22(3)16(25)12-23-7-9-24(10-8-23)17(26)14-5-4-6-15(11-14)18(19,20)21/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86993491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).