3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

C24H28F3N3O — CID 15312826

IUPAC3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(C2CCCc3ccccc32)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)19-8-10-20(11-9-19)28-23(31)12-13-29-14-16-30(17-15-29)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,28,31)
InChIKeyKRYNFBWVOAKANH-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.73
Rot. Bonds5

About 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 15312826) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID15312826
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCN1CCN(C2CCCc3ccccc32)CC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)19-8-10-20(11-9-19)28-23(31)12-13-29-14-16-30(17-15-29)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,28,31)
InChIKeyKRYNFBWVOAKANH-UHFFFAOYSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
CID 15312802
3-(4-benzylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109032580
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171702388
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 134044469
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 15312826) is 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCN1CCN(C2CCCc3ccccc32)CC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KRYNFBWVOAKANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c25-24(26,27)19-8-10-20(11-9-19)28-23(31)12-13-29-14-16-30(17-15-29)22-7-3-5-18-4-1-2-6-21(18)22/h1-2,4,6,8-11,22H,3,5,7,12-17H2,(H,28,31).
What are the key properties of 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 431.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 15312826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).