(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

C14H16F3N3O2 — CID 8516481

IUPAC(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m1/s1
InChIKeyHDMMYHVGQKIMNB-SECBINFHSA-N
MW315.30 g/mol
LogP1.46
Rot. Bonds3

About (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide

(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 8516481) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID8516481
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)C1
InChIInChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m1/s1
InChIKeyHDMMYHVGQKIMNB-SECBINFHSA-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 ≤ 500315.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide 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

(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
(2S)-2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 26304739
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 111114019
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 127043901
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide
CID 17423025
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410
(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide
CID 8773970
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide
CID 8773968
N-(4-fluorophenyl)-2-piperazin-1-ylpropanamide
CID 43089583
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8725348
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 8516481) is (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCNC(=O)C1.
What is the InChIKey of (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HDMMYHVGQKIMNB-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-9(20-7-6-18-12(21)8-20)13(22)19-11-4-2-10(3-5-11)14(15,16)17/h2-5,9H,6-8H2,1H3,(H,18,21)(H,19,22)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide?
(2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 315.30 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 (2R)-2-(3-oxopiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 8516481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).