(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C14H16F3N3O2 — CID 26304739

IUPAC(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCNC(=O)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1
InChIKeyBYVSRDUXZMJSJE-VIFPVBQESA-N
MW315.29 g/mol
LogP1.46
Rot. Bonds3

About (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 26304739) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.29 g/mol. Its IUPAC name is (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID26304739
Molecular FormulaC14H16F3N3O2
Molecular Weight315.29 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCNC(=O)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1
InChIKeyBYVSRDUXZMJSJE-VIFPVBQESA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8516481
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
3-oxo-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60765025
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 46563153
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110891614
1-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide
CID 9443539
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
4-[4-[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]piperazin-1-yl]benzamide
CID 86969750
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 26304739) is (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCNC(=O)C1.
What is the InChIKey of (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is BYVSRDUXZMJSJE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 315.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26304739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).