potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate

C65H93KN12O15 — CID 162173784

IUPACpotassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate
SMILESCC(C)(C)O.CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1ccc(C(N)=O)cc1)NC2=O.CC(C)(C)[O-].N#Cc1ccc(C(=O)O)cc1.[K+]
InChIInChI=1S/2C19H24N4O4.C11H21N3O3.C8H5NO2.C4H10O.C4H9O.K/c1-18(2,3)27-17(26)23-10-8-19(9-11-23)16(25)21-15(22-19)13-6-4-12(5-7-13)14(20)24;1-18(2,3)27-17(26)23-10-8-19(9-11-23,16(21)25)22-15(24)14-6-4-13(12-20)5-7-14;1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;9-5-6-1-3-7(4-2-6)8(10)11;2*1-4(2,3)5;/h4-7H,8-11H2,1-3H3,(H2,20,24)(H,21,22,25);4-7H,8-11H2,1-3H3,(H2,21,25)(H,22,24);4-7,13H2,1-3H3,(H2,12,15);1-4H,(H,10,11);5H,1-3H3;1-3H3;/q;;;;;-1;+1
InChIKeyZOCXWIKPVNRORB-UHFFFAOYSA-N
MW1321.63 g/mol
LogP2.36
Rot. Bonds7

About potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate

potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate (PubChem CID 162173784) has the molecular formula C65H93KN12O15 and a molecular weight of 1321.63 g/mol. Its IUPAC name is potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate
PubChem CID162173784
Molecular FormulaC65H93KN12O15
Molecular Weight1321.63 g/mol
Exact Mass1320.65
IUPAC Namepotassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate
SMILESCC(C)(C)O.CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1ccc(C(N)=O)cc1)NC2=O.CC(C)(C)[O-].N#Cc1ccc(C(=O)O)cc1.[K+]
InChIInChI=1S/2C19H24N4O4.C11H21N3O3.C8H5NO2.C4H10O.C4H9O.K/c1-18(2,3)27-17(26)23-10-8-19(9-11-23)16(25)21-15(22-19)13-6-4-12(5-7-13)14(20)24;1-18(2,3)27-17(26)23-10-8-19(9-11-23,16(21)25)22-15(24)14-6-4-13(12-20)5-7-14;1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;9-5-6-1-3-7(4-2-6)8(10)11;2*1-4(2,3)5;/h4-7H,8-11H2,1-3H3,(H2,20,24)(H,21,22,25);4-7H,8-11H2,1-3H3,(H2,21,25)(H,22,24);4-7,13H2,1-3H3,(H2,12,15);1-4H,(H,10,11);5H,1-3H3;1-3H3;/q;;;;;-1;+1
InChIKeyZOCXWIKPVNRORB-UHFFFAOYSA-N
XLogP2.36
TPSA442.64 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001321.63
LogP ≤ 52.36
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(4-cyanophenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 66817658
4-aminopiperidine-4-carboxamide;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;dichloromethane
CID 158250448
tert-butyl 4-[(4-ethynylbenzoyl)amino]-4-methylpiperidine-1-carboxylate
CID 150372713
tert-butyl 4-carbamoyl-4-(4-nitroanilino)piperidine-1-carboxylate
CID 118417462
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
tert-butyl 4-[(E)-4-(4-cyanophenyl)-4-oxobut-2-enoyl]piperazine-1-carboxylate
CID 171527688
tert-butyl 5-cyano-2-methylidenespiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 170064238
tert-butyl 2-oxo-3-[4-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxylate
CID 139434820
tert-butyl 2-[2-(5-fluorothiophen-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 178084716
tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 71911196
tert-butyl 7-(4-cyanophenyl)sulfonyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 156856759
tert-butyl 4-(5-cyano-2-pyridinyl)-4-fluoropiperidine-1-carboxylate;6-(4-fluoropiperidin-4-yl)pyridine-3-carbonitrile
CID 159932461

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate?
The IUPAC name of potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate (CID 162173784) is potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate.
What is the SMILES notation for potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate?
The canonical SMILES for potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate is CC(C)(C)O.CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)(C(N)=O)CC1.CC(C)(C)OC(=O)N1CCC2(CC1)N=C(c1ccc(C(N)=O)cc1)NC2=O.CC(C)(C)[O-].N#Cc1ccc(C(=O)O)cc1.[K+].
What is the InChIKey of potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate?
The InChIKey is ZOCXWIKPVNRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H24N4O4.C11H21N3O3.C8H5NO2.C4H10O.C4H9O.K/c1-18(2,3)27-17(26)23-10-8-19(9-11-23)16(25)21-15(22-19)13-6-4-12(5-7-13)14(20)24;1-18(2,3)27-17(26)23-10-8-19(9-11-23,16(21)25)22-15(24)14-6-4-13(12-20)5-7-14;1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15;9-5-6-1-3-7(4-2-6)8(10)11;2*1-4(2,3)5;/h4-7H,8-11H2,1-3H3,(H2,20,24)(H,21,22,25);4-7H,8-11H2,1-3H3,(H2,21,25)(H,22,24);4-7,13H2,1-3H3,(H2,12,15);1-4H,(H,10,11);5H,1-3H3;1-3H3;/q;;;;;-1;+1.
What are the key properties of potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate?
potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate has a molecular weight of 1321.63 g/mol, XLogP of 2.36, 7 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate;tert-butyl 4-carbamoyl-4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate;tert-butyl 2-(4-carbamoylphenyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate;4-cyanobenzoic acid;2-methylpropan-2-ol;2-methylpropan-2-olate is sourced from PubChem (CID 162173784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).