(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide

C19H22ClF4N3O2 — CID 166045433

IUPAC(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESC[C@@H]1C(=O)NCCN1C(=O)NC(C)(c1ccc(F)c(Cl)c1)C1CC(C(F)(F)F)C1
InChIInChI=1S/C19H22ClF4N3O2/c1-10-16(28)25-5-6-27(10)17(29)26-18(2,11-3-4-15(21)14(20)9-11)12-7-13(8-12)19(22,23)24/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,25,28)(H,26,29)/t10-,12?,13?,18?/m1/s1
InChIKeyBBPRHQCMWFRHMT-IHUQTEBDSA-N
MW435.85 g/mol
LogP3.81
Rot. Bonds3

About (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide

(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide (PubChem CID 166045433) has the molecular formula C19H22ClF4N3O2 and a molecular weight of 435.85 g/mol. Its IUPAC name is (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide
PubChem CID166045433
Molecular FormulaC19H22ClF4N3O2
Molecular Weight435.85 g/mol
Exact Mass435.13
IUPAC Name(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide
SMILESC[C@@H]1C(=O)NCCN1C(=O)NC(C)(c1ccc(F)c(Cl)c1)C1CC(C(F)(F)F)C1
InChIInChI=1S/C19H22ClF4N3O2/c1-10-16(28)25-5-6-27(10)17(29)26-18(2,11-3-4-15(21)14(20)9-11)12-7-13(8-12)19(22,23)24/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,25,28)(H,26,29)/t10-,12?,13?,18?/m1/s1
InChIKeyBBPRHQCMWFRHMT-IHUQTEBDSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.85
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide 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-fluoro-3-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)cyclobutyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166045493
(2R)-N-[(S)-(3-chloro-2-fluorophenyl)-[3-(trifluoromethyl)cyclobutyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166115021
(2R)-N-[(3-chloro-4-fluorophenyl)-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110780
4-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-3-methylpiperazin-2-one
CID 76995606
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95147672
N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167192191
(2R)-N-[(3-chloro-4-fluorophenyl)-[3-(difluoromethoxy)cyclobutyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166045378
(2R)-N-[(S)-(3-chloro-4-fluorophenyl)-[1-(1,2,2-trifluoroethyl)piperidin-4-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 175543819
(2R)-N-[(S)-(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110948
N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167173161
(2R)-N-[(S)-(3-chloro-4-fluorophenyl)-[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110767
(2R)-N-[(3-chloro-2,4-difluorophenyl)-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide (CID 166045433) is (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide is C[C@@H]1C(=O)NCCN1C(=O)NC(C)(c1ccc(F)c(Cl)c1)C1CC(C(F)(F)F)C1.
What is the InChIKey of (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide?
The InChIKey is BBPRHQCMWFRHMT-IHUQTEBDSA-N. The full InChI is InChI=1S/C19H22ClF4N3O2/c1-10-16(28)25-5-6-27(10)17(29)26-18(2,11-3-4-15(21)14(20)9-11)12-7-13(8-12)19(22,23)24/h3-4,9-10,12-13H,5-8H2,1-2H3,(H,25,28)(H,26,29)/t10-,12?,13?,18?/m1/s1.
What are the key properties of (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide?
(2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide has a molecular weight of 435.85 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3-chloro-4-fluorophenyl)-1-[3-(trifluoromethyl)cyclobutyl]ethyl]-2-methyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 166045433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).