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

C30H34F3N5O4 — CID 58428620

IUPAC2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C30H34F3N5O4/c1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2/h3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3
InChIKeyJSUSZQXJRDIPSS-UHFFFAOYSA-N
MW585.63 g/mol
LogP4.65
Rot. Bonds8

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

2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (PubChem CID 58428620) has the molecular formula C30H34F3N5O4 and a molecular weight of 585.63 g/mol. Its IUPAC name is 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
PubChem CID58428620
Molecular FormulaC30H34F3N5O4
Molecular Weight585.63 g/mol
Exact Mass585.26
IUPAC Name2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C30H34F3N5O4/c1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2/h3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3
InChIKeyJSUSZQXJRDIPSS-UHFFFAOYSA-N
XLogP4.65
TPSA92.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.63
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[[1-[5-[[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]pyridin-2-yl]piperidin-4-yl]methoxy]benzoic acid
CID 46208314
(2-aminopyridin-3-yl)-[3-(difluoromethoxy)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 57690531
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
Ethyl 1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidine-4-carboxylate
CID 72545307
Ethyl 2-[1-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]acetate
CID 72545308
Ethyl 4-[5-[[2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 72545309
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069006
1-({5-Methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-4-(2-pyridinyl)piperazine
CID 16192406
13,14-difluoro-7-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-17-oxa-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,8,11,13,15-heptaen-6-one
CID 162656125
2-(4-Fluorophenyl)-4-propyl-oxazole-5-carboxylic acid [1-methyl-2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-amide
CID 46231661

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone (CID 58428620) is 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is COc1ccccc1CC(=O)N1CCN(c2ccc(CC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
The InChIKey is JSUSZQXJRDIPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N5O4/c1-20-6-5-11-38(19-20)29-35-28(30(31,32)33)27(42-29)23(39)16-21-9-10-25(34-18-21)36-12-14-37(15-13-36)26(40)17-22-7-3-4-8-24(22)41-2/h3-4,7-10,18,20H,5-6,11-17,19H2,1-2H3.
What are the key properties of 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone?
2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone has a molecular weight of 585.63 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 58428620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).