N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

C19H21ClF3N3OS — CID 55432574

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H21ClF3N3OS/c1-13(26-8-6-25(7-9-26)12-15-3-2-10-28-15)18(27)24-17-5-4-14(20)11-16(17)19(21,22)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27)
InChIKeyDPBURKFTYJBLKH-UHFFFAOYSA-N
MW431.91 g/mol
LogP4.57
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 55432574) has the molecular formula C19H21ClF3N3OS and a molecular weight of 431.91 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID55432574
Molecular FormulaC19H21ClF3N3OS
Molecular Weight431.91 g/mol
Exact Mass431.10
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H21ClF3N3OS/c1-13(26-8-6-25(7-9-26)12-15-3-2-10-28-15)18(27)24-17-5-4-14(20)11-16(17)19(21,22)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27)
InChIKeyDPBURKFTYJBLKH-UHFFFAOYSA-N
XLogP4.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512
(2R)-N-(5-chloro-2-pyridinyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 30956228
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 26371067
1-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119908250
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84822086
(2R)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 8720823
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2S)-2-methylmorpholin-4-yl]propanamide
CID 31519985
(2R)-N-naphthalen-2-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720791

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide (CID 55432574) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is DPBURKFTYJBLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF3N3OS/c1-13(26-8-6-25(7-9-26)12-15-3-2-10-28-15)18(27)24-17-5-4-14(20)11-16(17)19(21,22)23/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,27).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 431.91 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55432574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).