N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide

C24H28F3N3O2 — CID 93057923

IUPACN-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
SMILESC[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H28F3N3O2/c1-18(19-5-3-2-4-6-19)17-30(14-11-22(31)29-15-12-28-13-16-29)23(32)20-7-9-21(10-8-20)24(25,26)27/h2-10,18,28H,11-17H2,1H3/t18-/m0/s1
InChIKeyUIEZLQAXPBVRGI-SFHVURJKSA-N
MW447.50 g/mol
LogP3.77
Rot. Bonds7

About N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide

N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide (PubChem CID 93057923) has the molecular formula C24H28F3N3O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
PubChem CID93057923
Molecular FormulaC24H28F3N3O2
Molecular Weight447.50 g/mol
Exact Mass447.21
IUPAC NameN-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
SMILESC[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H28F3N3O2/c1-18(19-5-3-2-4-6-19)17-30(14-11-22(31)29-15-12-28-13-16-29)23(32)20-7-9-21(10-8-20)24(25,26)27/h2-10,18,28H,11-17H2,1H3/t18-/m0/s1
InChIKeyUIEZLQAXPBVRGI-SFHVURJKSA-N
XLogP3.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 94078053
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071301
3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
CID 50779377
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 50779268
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 93057955
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-propan-2-yloxypropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057484

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide (CID 93057923) is N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide is C[C@@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UIEZLQAXPBVRGI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28F3N3O2/c1-18(19-5-3-2-4-6-19)17-30(14-11-22(31)29-15-12-28-13-16-29)23(32)20-7-9-21(10-8-20)24(25,26)27/h2-10,18,28H,11-17H2,1H3/t18-/m0/s1.
What are the key properties of N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide?
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide has a molecular weight of 447.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).