potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide

C52H61KN10O6 — CID 159355808

IUPACpotassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide
SMILESCCc1cc(CC)c(-c2nc(OC)n[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CO.[K+].[OH-]
InChIInChI=1S/C26H29N5O2.C25H27N5O2.CH4O.K.H2O/c1-4-18-14-19(5-2)23(15-22(18)24-28-26(33-3)30-29-24)25(32)31-12-10-21(11-13-31)20-8-6-17(16-27)7-9-20;1-3-17-13-18(4-2)22(14-21(17)23-28-29-25(27)32-23)24(31)30-11-9-20(10-12-30)19-7-5-16(15-26)6-8-19;1-2;;/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);2H,1H3;;1H2/q;;;+1;/p-1
InChIKeyLHXCHACEZLJQFW-UHFFFAOYSA-M
MW961.22 g/mol
LogP5.27
Rot. Bonds11

About potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide

potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide (PubChem CID 159355808) has the molecular formula C52H61KN10O6 and a molecular weight of 961.22 g/mol. Its IUPAC name is potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide.

Molecular Properties

Compound Namepotassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide
PubChem CID159355808
Molecular FormulaC52H61KN10O6
Molecular Weight961.22 g/mol
Exact Mass960.44
IUPAC Namepotassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide
SMILESCCc1cc(CC)c(-c2nc(OC)n[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CO.[K+].[OH-]
InChIInChI=1S/C26H29N5O2.C25H27N5O2.CH4O.K.H2O/c1-4-18-14-19(5-2)23(15-22(18)24-28-26(33-3)30-29-24)25(32)31-12-10-21(11-13-31)20-8-6-17(16-27)7-9-20;1-3-17-13-18(4-2)22(14-21(17)23-28-29-25(27)32-23)24(31)30-11-9-20(10-12-30)19-7-5-16(15-26)6-8-19;1-2;;/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);2H,1H3;;1H2/q;;;+1;/p-1
InChIKeyLHXCHACEZLJQFW-UHFFFAOYSA-M
XLogP5.27
TPSA254.17 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500961.22
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide with MolForge

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Related Compounds

potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide
CID 160520726
2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile
CID 175864180
N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
CID 175281300
2-[1-[4-cyclopropyl-5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-ethylbenzoyl]piperidin-4-yl]benzamide
CID 175864370
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzohydrazide;hydrazine;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-ethylbenzoate;hydrate
CID 161317526
methyl 2,3-bis[4-(4-cyanophenyl)piperidine-1-carbonyl]-4,6-diethylbenzoate
CID 175395318
4-[1-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-pentan-3-ylbenzoyl]piperidin-4-yl]benzonitrile
CID 118260357
4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
CID 175281301
4-[1-[4-cyclobutyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzoyl]-3-fluoroazetidin-3-yl]benzonitrile
CID 90030228
4-[1-[5-[5-(4-methoxybutan-2-yl)-1H-1,2,4-triazol-3-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
CID 139453895
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[1-[4-cyclopentyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile;molecular hydrogen
CID 176574142

Frequently Asked Questions

What is the IUPAC name of potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide?
The IUPAC name of potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide (CID 159355808) is potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide.
What is the SMILES notation for potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide?
The canonical SMILES for potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide is CCc1cc(CC)c(-c2nc(OC)n[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.CO.[K+].[OH-].
What is the InChIKey of potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide?
The InChIKey is LHXCHACEZLJQFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H29N5O2.C25H27N5O2.CH4O.K.H2O/c1-4-18-14-19(5-2)23(15-22(18)24-28-26(33-3)30-29-24)25(32)31-12-10-21(11-13-31)20-8-6-17(16-27)7-9-20;1-3-17-13-18(4-2)22(14-21(17)23-28-29-25(27)32-23)24(31)30-11-9-20(10-12-30)19-7-5-16(15-26)6-8-19;1-2;;/h6-9,14-15,21H,4-5,10-13H2,1-3H3,(H,28,29,30);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);2H,1H3;;1H2/q;;;+1;/p-1.
What are the key properties of potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide?
potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide has a molecular weight of 961.22 g/mol, XLogP of 5.27, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide is sourced from PubChem (CID 159355808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).