2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

C70H83F6N9O11 — CID 123189767

IUPAC2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
SMILESCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C24H28F3N3O4.C23H26F3N3O4.C23H29N3O3/c1-2-20(31)17-33-23(32)7-4-10-29-11-13-30(14-12-29)22-9-8-19(16-28-22)18-5-3-6-21(15-18)34-24(25,26)27;1-17(30)16-32-22(31)6-3-9-28-10-12-29(13-11-28)21-8-7-19(15-27-21)18-4-2-5-20(14-18)33-23(24,25)26;1-18-5-7-20(8-6-18)21-9-10-22(24-16-21)26-14-12-25(13-15-26)11-3-4-23(28)29-17-19(2)27/h3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyYLCMWIBNXNKFSO-UHFFFAOYSA-N
MW1340.47 g/mol
LogP10.84
Rot. Bonds27

About 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate

2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (PubChem CID 123189767) has the molecular formula C70H83F6N9O11 and a molecular weight of 1340.47 g/mol. Its IUPAC name is 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.

Molecular Properties

Compound Name2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
PubChem CID123189767
Molecular FormulaC70H83F6N9O11
Molecular Weight1340.47 g/mol
Exact Mass1339.61
IUPAC Name2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
SMILESCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1
InChIInChI=1S/C24H28F3N3O4.C23H26F3N3O4.C23H29N3O3/c1-2-20(31)17-33-23(32)7-4-10-29-11-13-30(14-12-29)22-9-8-19(16-28-22)18-5-3-6-21(15-18)34-24(25,26)27;1-17(30)16-32-22(31)6-3-9-28-10-12-29(13-11-28)21-8-7-19(15-27-21)18-4-2-5-20(14-18)33-23(24,25)26;1-18-5-7-20(8-6-18)21-9-10-22(24-16-21)26-14-12-25(13-15-26)11-3-4-23(28)29-17-19(2)27/h3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;5-10,16H,3-4,11-15,17H2,1-2H3
InChIKeyYLCMWIBNXNKFSO-UHFFFAOYSA-N
XLogP10.84
TPSA206.68 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.47
LogP ≤ 510.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate with MolForge

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Related Compounds

Ethyl 1-[6-[3,5-difluoro-2-[[4-methyl-6-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridin-3-yl]methoxy]phenyl]pyridin-2-yl]piperidine-4-carboxylate
CID 118960882
2-Oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 123516475
2-Oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 123522338
1-[4-[3,5-Difluoro-2-[[5-[2-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 142798565
1-[4-[3,5-Difluoro-2-[[2-methoxy-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 142798583
Ethyl 1-[4-[3,5-difluoro-2-[[5-[2-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
CID 142798586
1-[4-[3,5-Difluoro-2-[[5-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]-3-pyridinyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 142798588
Ethyl 1-[4-[3,5-difluoro-2-[[2-(oxetan-3-yloxy)-4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]methoxy]phenyl]-2-pyridinyl]piperidine-4-carboxylate
CID 142798590
[2-(Methylamino)-2-oxoethyl] 4-(4-naphthalen-1-ylpiperazin-1-yl)butanoate;[2-(methylamino)-2-oxoethyl] 5-(4-naphthalen-1-ylpiperazin-1-yl)pentanoate;2-oxobutyl 4-[4-[5-[4-(hydroxymethyl)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 158778755
2-Oxobutyl 4-[4-[6-(3-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-(4-methoxyphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 158856140
(3S,4R)-4-cyclopropyl-4-[(3R)-3-[2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-1H-isochromen-6-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[(3S)-3-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-1H-isochromen-6-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-4-[(3R)-3-[4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-1H-isochromen-6-yl]-3-methylbutan-2-one;(3S,4R)-4-cyclopropyl-3-methyl-4-[3-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3,4-dihydro-1H-isochromen-6-yl]butan-2-one
CID 159242507
2-Oxobutyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxobutyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(3-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-chlorophenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate
CID 160532867

Frequently Asked Questions

What is the IUPAC name of 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?
The IUPAC name of 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate (CID 123189767) is 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate.
What is the SMILES notation for 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?
The canonical SMILES for 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3ccc(C)cc3)cn2)CC1.CC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.CCC(=O)COC(=O)CCCN1CCN(c2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.
What is the InChIKey of 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?
The InChIKey is YLCMWIBNXNKFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4.C23H26F3N3O4.C23H29N3O3/c1-2-20(31)17-33-23(32)7-4-10-29-11-13-30(14-12-29)22-9-8-19(16-28-22)18-5-3-6-21(15-18)34-24(25,26)27;1-17(30)16-32-22(31)6-3-9-28-10-12-29(13-11-28)21-8-7-19(15-27-21)18-4-2-5-20(14-18)33-23(24,25)26;1-18-5-7-20(8-6-18)21-9-10-22(24-16-21)26-14-12-25(13-15-26)11-3-4-23(28)29-17-19(2)27/h3,5-6,8-9,15-16H,2,4,7,10-14,17H2,1H3;2,4-5,7-8,14-15H,3,6,9-13,16H2,1H3;5-10,16H,3-4,11-15,17H2,1-2H3.
What are the key properties of 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate?
2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate has a molecular weight of 1340.47 g/mol, XLogP of 10.84, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobutyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-(4-methylphenyl)-2-pyridinyl]piperazin-1-yl]butanoate;2-oxopropyl 4-[4-[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 123189767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).