(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

C25H25F3N4O2 — CID 31377197

IUPAC(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C25H25F3N4O2/c1-34-21-9-5-8-20(16-21)30-24(33)23(18-6-3-2-4-7-18)32-14-12-31(13-15-32)22-11-10-19(17-29-22)25(26,27)28/h2-11,16-17,23H,12-15H2,1H3,(H,30,33)/t23-/m1/s1
InChIKeyAIJOCSBWHIVOCN-HSZRJFAPSA-N
MW470.50 g/mol
LogP4.61
Rot. Bonds6

About (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide

(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (PubChem CID 31377197) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
PubChem CID31377197
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C25H25F3N4O2/c1-34-21-9-5-8-20(16-21)30-24(33)23(18-6-3-2-4-7-18)32-14-12-31(13-15-32)22-11-10-19(17-29-22)25(26,27)28/h2-11,16-17,23H,12-15H2,1H3,(H,30,33)/t23-/m1/s1
InChIKeyAIJOCSBWHIVOCN-HSZRJFAPSA-N
XLogP4.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
(2S)-N-(2-methoxy-5-methylphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 31910794
N-(3,5-dimethoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 17427733
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894407
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(2R)-N-(3-acetylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 9288536
(2S)-2-phenyl-1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 31370609
2-phenyl-2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42911831
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
(2R)-2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 95785630

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide (CID 31377197) is (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
The InChIKey is AIJOCSBWHIVOCN-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-34-21-9-5-8-20(16-21)30-24(33)23(18-6-3-2-4-7-18)32-14-12-31(13-15-32)22-11-10-19(17-29-22)25(26,27)28/h2-11,16-17,23H,12-15H2,1H3,(H,30,33)/t23-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide?
(2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide has a molecular weight of 470.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31377197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).