(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide

C21H20F3N5O — CID 31256282

IUPAC(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)20-26-16-9-5-4-8-15(16)19(27-20)29-12-10-28(11-13-29)17(18(25)30)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,25,30)/t17-/m0/s1
InChIKeyBBUJTWPWAMLARF-KRWDZBQOSA-N
MW415.42 g/mol
LogP3.00
Rot. Bonds4

About (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide

(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide (PubChem CID 31256282) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
PubChem CID31256282
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)20-26-16-9-5-4-8-15(16)19(27-20)29-12-10-28(11-13-29)17(18(25)30)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,25,30)/t17-/m0/s1
InChIKeyBBUJTWPWAMLARF-KRWDZBQOSA-N
XLogP3.00
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 99855050
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-4-[2-(trifluoromethyl)quinazolin-4-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9261782
8-[2-(trifluoromethyl)quinazolin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 35416833
2-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 17448522
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
CID 96547909
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
(2R)-2-[4-(3-cyano-4,6-dimethyl-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 31256288
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-2-(trifluoromethyl)quinazoline
CID 71689078
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide (CID 31256282) is (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide is NC(=O)[C@H](c1ccccc1)N1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide?
The InChIKey is BBUJTWPWAMLARF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)20-26-16-9-5-4-8-15(16)19(27-20)29-12-10-28(11-13-29)17(18(25)30)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,25,30)/t17-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide?
(2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide has a molecular weight of 415.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31256282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).