(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C16H22F3N3O2 — CID 95899369

IUPAC(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cccc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3N3O2/c1-12(15(23)20-11-16(17,18)19)21-6-8-22(9-7-21)13-4-3-5-14(10-13)24-2/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAHVNXDYLOACHEE-LBPRGKRZSA-N
MW345.37 g/mol
LogP1.88
Rot. Bonds5

About (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95899369) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95899369
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOc1cccc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3N3O2/c1-12(15(23)20-11-16(17,18)19)21-6-8-22(9-7-21)13-4-3-5-14(10-13)24-2/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyAHVNXDYLOACHEE-LBPRGKRZSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78700917
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
4-[4-(3-methoxyphenyl)piperazin-1-yl]pentan-2-one
CID 64696870
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 8592209
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95899369) is (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is COc1cccc(N2CCN([C@@H](C)C(=O)NCC(F)(F)F)CC2)c1.
What is the InChIKey of (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is AHVNXDYLOACHEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-12(15(23)20-11-16(17,18)19)21-6-8-22(9-7-21)13-4-3-5-14(10-13)24-2/h3-5,10,12H,6-9,11H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 345.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95899369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).