tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid

C71H102N6O7 — CID 157099285

IUPACtert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid
SMILESC.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(CCC34CC5CC(C3)CC(c3ccccc3)(C5)C4)nc2)CC1.O=C(O)c1ccc(CCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)nc1.[2H]CC
InChIInChI=1S/C34H45N3O3.C24H27NO2.C10H20N2O2.C2H6.CH4/c1-32(2,3)40-31(39)37-15-12-29(13-16-37)36-30(38)26-9-10-28(35-22-26)11-14-33-18-24-17-25(19-33)21-34(20-24,23-33)27-7-5-4-6-8-27;26-22(27)19-6-7-21(25-15-19)8-9-23-11-17-10-18(12-23)14-24(13-17,16-23)20-4-2-1-3-5-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2;/h4-10,22,24-25,29H,11-21,23H2,1-3H3,(H,36,38);1-7,15,17-18H,8-14,16H2,(H,26,27);8H,4-7,11H2,1-3H3;1-2H3;1H4/i;;;1D;
InChIKeyAFOQRUYVHMNRLA-JLMMQWLNSA-N
MW1152.64 g/mol
LogP14.94
Rot. Bonds11

About tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid (PubChem CID 157099285) has the molecular formula C71H102N6O7 and a molecular weight of 1152.64 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid
PubChem CID157099285
Molecular FormulaC71H102N6O7
Molecular Weight1152.64 g/mol
Exact Mass1151.79
IUPAC Nametert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid
SMILESC.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(CCC34CC5CC(C3)CC(c3ccccc3)(C5)C4)nc2)CC1.O=C(O)c1ccc(CCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)nc1.[2H]CC
InChIInChI=1S/C34H45N3O3.C24H27NO2.C10H20N2O2.C2H6.CH4/c1-32(2,3)40-31(39)37-15-12-29(13-16-37)36-30(38)26-9-10-28(35-22-26)11-14-33-18-24-17-25(19-33)21-34(20-24,23-33)27-7-5-4-6-8-27;26-22(27)19-6-7-21(25-15-19)8-9-23-11-17-10-18(12-23)14-24(13-17,16-23)20-4-2-1-3-5-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2;/h4-10,22,24-25,29H,11-21,23H2,1-3H3,(H,36,38);1-7,15,17-18H,8-14,16H2,(H,26,27);8H,4-7,11H2,1-3H3;1-2H3;1H4/i;;;1D;
InChIKeyAFOQRUYVHMNRLA-JLMMQWLNSA-N
XLogP14.94
TPSA177.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.64
LogP ≤ 514.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
CID 142239984
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
CID 59850228
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
tert-butyl 4-[[4-(methylsulfonylmethyl)benzoyl]amino]piperidine-1-carboxylate
CID 55985019
imino-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]phenyl]iminoazanium
CID 137439141
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 4-[[2-(2-methoxyethoxy)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47072487

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid (CID 157099285) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid is C.CC(C)(C)OC(=O)N1CCC(N)CC1.CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(CCC34CC5CC(C3)CC(c3ccccc3)(C5)C4)nc2)CC1.O=C(O)c1ccc(CCC23CC4CC(C2)CC(c2ccccc2)(C4)C3)nc1.[2H]CC.
What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid?
The InChIKey is AFOQRUYVHMNRLA-JLMMQWLNSA-N. The full InChI is InChI=1S/C34H45N3O3.C24H27NO2.C10H20N2O2.C2H6.CH4/c1-32(2,3)40-31(39)37-15-12-29(13-16-37)36-30(38)26-9-10-28(35-22-26)11-14-33-18-24-17-25(19-33)21-34(20-24,23-33)27-7-5-4-6-8-27;26-22(27)19-6-7-21(25-15-19)8-9-23-11-17-10-18(12-23)14-24(13-17,16-23)20-4-2-1-3-5-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-2;/h4-10,22,24-25,29H,11-21,23H2,1-3H3,(H,36,38);1-7,15,17-18H,8-14,16H2,(H,26,27);8H,4-7,11H2,1-3H3;1-2H3;1H4/i;;;1D;.
What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid?
tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid has a molecular weight of 1152.64 g/mol, XLogP of 14.94, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carbonyl]amino]piperidine-1-carboxylate;deuterioethane;methane;6-[2-(3-phenyl-1-adamantyl)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157099285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).