(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C17H24F3N3O2 — CID 9390700

IUPAC(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCCN1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O2/c1-3-8-22-9-11-23(12-10-22)13(2)16(24)21-14-4-6-15(7-5-14)25-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyFLRXAYTWSITCCI-ZDUSSCGKSA-N
MW359.39 g/mol
LogP2.94
Rot. Bonds6

About (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 9390700) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID9390700
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCCCN1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H24F3N3O2/c1-3-8-22-9-11-23(12-10-22)13(2)16(24)21-14-4-6-15(7-5-14)25-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyFLRXAYTWSITCCI-ZDUSSCGKSA-N
XLogP2.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
CID 42927395
2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46527465
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
N-[4-(difluoromethoxy)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 86906751
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
N-(2,4-dimethylphenyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 46631384
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 30966237
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 86919392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 9390700) is (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is CCCN1CCN([C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is FLRXAYTWSITCCI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-3-8-22-9-11-23(12-10-22)13(2)16(24)21-14-4-6-15(7-5-14)25-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 9390700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).