tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride

C148H208BrClN32O14 — CID 162103480

About tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride

tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride (PubChem CID 162103480) has the molecular formula C148H208BrClN32O14 and a molecular weight of 2774.86 g/mol. Its IUPAC name is tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride
• PubChem CID: 162103480
• Molecular Formula: C148H208BrClN32O14
• Molecular Weight: 2774.86 g/mol
• Exact Mass: 2771.54
• IUPAC Name: tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride
• SMILES: C.C.CC.CC(C)(C)OC(=O)NN.CN(C)C=C(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.CN1CCC(=O)CC1.CN1CCC(NN)CC1.CN1CCC(NNC(=O)OC(C)(C)C)CC1.CN1CCC(n2cc(N)c(-c3ccccc3)n2)CC1.CN1CCC(n2ncc(Cc3cnccc3C(=O)O)c2-c2ccccc2)CC1.CN1CCC(n2ncc(N)c2-c2ccccc2)CC1.CN1CCC(n2ncc(N)c2-c2ccccc2)CC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cnn(C2CCN(C)CC2)c1-c1ccccc1.Cl
• InChI: InChI=1S/C23H26N4O2.C22H24N4O2.C19H16N2O3.3C15H20N4.C11H23N3O2.C7H6BrNO2.C6H15N3.C6H11NO.C5H12N2O2.C2H6.2CH4.ClH/c1-26-12-9-20(10-13-26)27-22(17-6-4-3-5-7-17)19(16-25-27)14-18-15-24-11-8-21(18)23(28)29-2;1-25-11-8-19(9-12-25)26-21(16-5-3-2-4-6-16)18(15-24-26)13-17-14-23-10-7-20(17)22(27)28;1-20(2)12-16(17(22)13-8-4-3-5-9-13)21-18(23)14-10-6-7-11-15(14)19(21)24;1-18-9-7-13(8-10-18)19-11-14(16)15(17-19)12-5-3-2-4-6-12;2*1-18-9-7-13(8-10-18)19-15(14(16)11-17-19)12-5-3-2-4-6-12;1-11(2,3)16-10(15)13-12-9-5-7-14(4)8-6-9;1-11-7(10)5-2-3-9-4-6(5)8;1-9-4-2-6(8-7)3-5-9;1-7-4-2-6(8)3-5-7;1-5(2,3)9-4(8)7-6;1-2;;;/h3-8,11,15-16,20H,9-10,12-14H2,1-2H3;2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28);3-12H,1-2H3;3*2-6,11,13H,7-10,16H2,1H3;9,12H,5-8H2,1-4H3,(H,13,15);2-4H,1H3;6,8H,2-5,7H2,1H3;2-5H2,1H3;6H2,1-3H3,(H,7,8);1-2H3;2*1H4;1H
• InChIKey: HFTXOLWWDUSLAT-UHFFFAOYSA-N
• XLogP: 22.53
• TPSA: 549.17 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 24
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2774.86
LogP ≤ 5	22.53
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride (CID 162103480) is tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride is C.C.CC.CC(C)(C)OC(=O)NN.CN(C)C=C(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.CN1CCC(=O)CC1.CN1CCC(NN)CC1.CN1CCC(NNC(=O)OC(C)(C)C)CC1.CN1CCC(n2cc(N)c(-c3ccccc3)n2)CC1.CN1CCC(n2ncc(Cc3cnccc3C(=O)O)c2-c2ccccc2)CC1.CN1CCC(n2ncc(N)c2-c2ccccc2)CC1.CN1CCC(n2ncc(N)c2-c2ccccc2)CC1.COC(=O)c1ccncc1Br.COC(=O)c1ccncc1Cc1cnn(C2CCN(C)CC2)c1-c1ccccc1.Cl.

What is the InChIKey of tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride?

The InChIKey is HFTXOLWWDUSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.C22H24N4O2.C19H16N2O3.3C15H20N4.C11H23N3O2.C7H6BrNO2.C6H15N3.C6H11NO.C5H12N2O2.C2H6.2CH4.ClH/c1-26-12-9-20(10-13-26)27-22(17-6-4-3-5-7-17)19(16-25-27)14-18-15-24-11-8-21(18)23(28)29-2;1-25-11-8-19(9-12-25)26-21(16-5-3-2-4-6-16)18(15-24-26)13-17-14-23-10-7-20(17)22(27)28;1-20(2)12-16(17(22)13-8-4-3-5-9-13)21-18(23)14-10-6-7-11-15(14)19(21)24;1-18-9-7-13(8-10-18)19-11-14(16)15(17-19)12-5-3-2-4-6-12;2*1-18-9-7-13(8-10-18)19-15(14(16)11-17-19)12-5-3-2-4-6-12;1-11(2,3)16-10(15)13-12-9-5-7-14(4)8-6-9;1-11-7(10)5-2-3-9-4-6(5)8;1-9-4-2-6(8-7)3-5-9;1-7-4-2-6(8)3-5-7;1-5(2,3)9-4(8)7-6;1-2;;;/h3-8,11,15-16,20H,9-10,12-14H2,1-2H3;2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28);3-12H,1-2H3;3*2-6,11,13H,7-10,16H2,1H3;9,12H,5-8H2,1-4H3,(H,13,15);2-4H,1H3;6,8H,2-5,7H2,1H3;2-5H2,1H3;6H2,1-3H3,(H,7,8);1-2H3;2*1H4;1H.

What are the key properties of tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride?

tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 2774.86 g/mol, XLogP of 22.53, 24 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 162103480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).