2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

C29H32F3N5O3 — CID 58428511

IUPAC2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C29H32F3N5O3/c1-20-7-3-4-8-22(20)18-25(39)36-15-13-35(14-16-36)24-10-9-21(19-33-24)17-23(38)26-27(29(30,31)32)34-28(40-26)37-11-5-2-6-12-37/h3-4,7-10,19H,2,5-6,11-18H2,1H3
InChIKeyIOYFQBCSYSYLGO-UHFFFAOYSA-N
MW555.60 g/mol
LogP4.70
Rot. Bonds7

About 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone

2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58428511) has the molecular formula C29H32F3N5O3 and a molecular weight of 555.60 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58428511
Molecular FormulaC29H32F3N5O3
Molecular Weight555.60 g/mol
Exact Mass555.25
IUPAC Name2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C29H32F3N5O3/c1-20-7-3-4-8-22(20)18-25(39)36-15-13-35(14-16-36)24-10-9-21(19-33-24)17-23(38)26-27(29(30,31)32)34-28(40-26)37-11-5-2-6-12-37/h3-4,7-10,19H,2,5-6,11-18H2,1H3
InChIKeyIOYFQBCSYSYLGO-UHFFFAOYSA-N
XLogP4.70
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.60
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(1-{[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-4-yl)carbonyl]-4-pyridin-2-ylpiperazine
CID 3239292
[1-[[5-Methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309518
N-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 44528443
N-[6-(4-phenylpiperidin-1-yl)pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 67389970
N-[6-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridin-3-yl]-2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 68235802
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 71511236
(2-Methyl-4-phenyl-1,3-oxazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 76327957
N-[5-[4-[(2-methylphenyl)carbamoyl]phenyl]pyridin-2-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46196329
N-[6-[4-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207541
N-[6-[4-[(2R)-2-hydroxy-2-phenylacetyl]piperazin-1-yl]pyridin-3-yl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207542
N-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]pyridin-3-yl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207661
2-(4-phenylpiperidin-1-yl)-N-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]pyridin-3-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 46207662

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58428511) is 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is Cc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is IOYFQBCSYSYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N5O3/c1-20-7-3-4-8-22(20)18-25(39)36-15-13-35(14-16-36)24-10-9-21(19-33-24)17-23(38)26-27(29(30,31)32)34-28(40-26)37-11-5-2-6-12-37/h3-4,7-10,19H,2,5-6,11-18H2,1H3.
What are the key properties of 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 555.60 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58428511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).