(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

C24H27F3N4O2 — CID 30622579

IUPAC(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN([C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1)NC1CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)18-7-4-8-20(15-18)29-23(33)22(17-5-2-1-3-6-17)31-13-11-30(12-14-31)16-21(32)28-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,28,32)(H,29,33)/t22-/m0/s1
InChIKeyXAOWERRVDZQGJZ-QFIPXVFZSA-N
MW460.50 g/mol
LogP3.28
Rot. Bonds7

About (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 30622579) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID30622579
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN([C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1)NC1CC1
InChIInChI=1S/C24H27F3N4O2/c25-24(26,27)18-7-4-8-20(15-18)29-23(33)22(17-5-2-1-3-6-17)31-13-11-30(12-14-31)16-21(32)28-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,28,32)(H,29,33)/t22-/m0/s1
InChIKeyXAOWERRVDZQGJZ-QFIPXVFZSA-N
XLogP3.28
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 30622583
(2S)-N-cyclopropyl-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9044690
2-phenyl-2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42911831
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9360237
(2S)-N-cyclopropyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 9046791
N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 30622579) is (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN([C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)CC1)NC1CC1.
What is the InChIKey of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XAOWERRVDZQGJZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c25-24(26,27)18-7-4-8-20(15-18)29-23(33)22(17-5-2-1-3-6-17)31-13-11-30(12-14-31)16-21(32)28-19-9-10-19/h1-8,15,19,22H,9-14,16H2,(H,28,32)(H,29,33)/t22-/m0/s1.
What are the key properties of (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 460.50 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30622579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).