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

C54H67KN10O7 — CID 160520726

IUPACpotassium;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
SMILESCCO.CCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C(N)=O)cc4)CC3)c(CC)cc2CC)n1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.[K+].[OH-]
InChIInChI=1S/C27H33N5O3.C25H27N5O2.C2H6O.K.H2O/c1-4-17-15-18(5-2)23(16-22(17)25-29-27(31-30-25)35-6-3)26(34)32-13-11-20(12-14-32)19-7-9-21(10-8-19)24(28)33;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;1-2-3;;/h7-10,15-16,20H,4-6,11-14H2,1-3H3,(H2,28,33)(H,29,30,31);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);3H,2H2,1H3;;1H2/q;;;+1;/p-1
InChIKeyQUFSYLWFTNPJFJ-UHFFFAOYSA-M
MW1007.29 g/mol
LogP5.27
Rot. Bonds13

About 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

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 (PubChem CID 160520726) has the molecular formula C54H67KN10O7 and a molecular weight of 1007.29 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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide.

Molecular Properties

Compound Namepotassium;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
PubChem CID160520726
Molecular FormulaC54H67KN10O7
Molecular Weight1007.29 g/mol
Exact Mass1006.48
IUPAC Namepotassium;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
SMILESCCO.CCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C(N)=O)cc4)CC3)c(CC)cc2CC)n1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.[K+].[OH-]
InChIInChI=1S/C27H33N5O3.C25H27N5O2.C2H6O.K.H2O/c1-4-17-15-18(5-2)23(16-22(17)25-29-27(31-30-25)35-6-3)26(34)32-13-11-20(12-14-32)19-7-9-21(10-8-19)24(28)33;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;1-2-3;;/h7-10,15-16,20H,4-6,11-14H2,1-3H3,(H2,28,33)(H,29,30,31);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);3H,2H2,1H3;;1H2/q;;;+1;/p-1
InChIKeyQUFSYLWFTNPJFJ-UHFFFAOYSA-M
XLogP5.27
TPSA273.47 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001007.29
LogP ≤ 55.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 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 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;4-[1-[2,4-diethyl-5-(3-methoxy-1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]benzonitrile;methanol;hydroxide
CID 159355808
2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile
CID 175864180
2-[1-[4-cyclopropyl-5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-ethylbenzoyl]piperidin-4-yl]benzamide
CID 175864370
4-[1-[2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-4-pentan-3-ylbenzoyl]piperidin-4-yl]benzonitrile
CID 118260357
N-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-diethylphenyl]formamide
CID 175281300
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
4-[1-[5-[5-(4-methoxybutan-2-yl)-1H-1,2,4-triazol-3-yl]-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
CID 139453895
4-[1-(2,4-diethylbenzoyl)piperidin-4-yl]benzonitrile;formohydrazide
CID 175281301
methyl 2,3-bis[4-(4-cyanophenyl)piperidine-1-carbonyl]-4,6-diethylbenzoate
CID 175395318
5-(7,7-dimethyl-4,6-dihydro-3H-pyrano[3,4-d]imidazol-2-yl)-2,4-dimethylbenzoic acid;4-[1-[5-(7,7-dimethyl-4,6-dihydro-3H-pyrano[3,4-d]imidazol-2-yl)-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 158297549
4-[1-[3-[3-(2-hydroxyethoxy)-4-methyl-1H-pyrazol-5-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 122677163

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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide?
The IUPAC name of 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) is 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.
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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide?
The canonical SMILES for 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 is CCO.CCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C(N)=O)cc4)CC3)c(CC)cc2CC)n1.CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.[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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide?
The InChIKey is QUFSYLWFTNPJFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H33N5O3.C25H27N5O2.C2H6O.K.H2O/c1-4-17-15-18(5-2)23(16-22(17)25-29-27(31-30-25)35-6-3)26(34)32-13-11-20(12-14-32)19-7-9-21(10-8-19)24(28)33;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;1-2-3;;/h7-10,15-16,20H,4-6,11-14H2,1-3H3,(H2,28,33)(H,29,30,31);5-8,13-14,20H,3-4,9-12H2,1-2H3,(H2,27,29);3H,2H2,1H3;;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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide?
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 has a molecular weight of 1007.29 g/mol, XLogP of 5.27, 13 rotatable bonds, 4 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;ethanol;4-[1-[5-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzamide;hydroxide is sourced from PubChem (CID 160520726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).