tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

C126H246N24O21 — CID 161070189

About tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate

tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (PubChem CID 161070189) has the molecular formula C126H246N24O21 and a molecular weight of 2433.50 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
• PubChem CID: 161070189
• Molecular Formula: C126H246N24O21
• Molecular Weight: 2433.50 g/mol
• Exact Mass: 2431.89
• IUPAC Name: tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate
• SMILES: CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.CC1CN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CCN1.CCOC(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.COC1CN(C(C)C)CCC1NC(=O)OC(C)C
• InChI: InChI=1S/C23H44N4O4.C22H42N4O4.C18H36N4O2.C17H34N4O2.C17H33N3O3.C16H31N3O3.C13H26N2O3/c1-17(2)26-11-9-23(10-12-26,24-20(28)30-18(3)4)16-25-13-14-27(19(5)15-25)21(29)31-22(6,7)8;1-17(2)25-10-8-22(9-11-25,23-19(27)29-18(3)4)16-24-12-14-26(15-13-24)20(28)30-21(5,6)7;1-14(2)22-9-6-18(7-10-22,20-17(23)24-15(3)4)13-21-11-8-19-16(5)12-21;1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20;1-14(2)20-7-5-17(6-8-20,18-16(21)23-15(3)4)13-19-9-11-22-12-10-19;1-4-22-15(20)17-16(13-18-9-11-21-12-10-18)5-7-19(8-6-16)14(2)3;1-9(2)15-7-6-11(12(8-15)17-5)14-13(16)18-10(3)4/h17-19H,9-16H2,1-8H3,(H,24,28);17-18H,8-16H2,1-7H3,(H,23,27);14-16,19H,6-13H2,1-5H3,(H,20,23);14-15,18H,5-13H2,1-4H3,(H,19,22);14-15H,5-13H2,1-4H3,(H,18,21);14H,4-13H2,1-3H3,(H,17,20);9-12H,6-8H2,1-5H3,(H,14,16)
• InChIKey: UEOBSIBGEPNHDE-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 421.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.50
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?

The IUPAC name of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate (CID 161070189) is tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate.

What is the SMILES notation for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?

The canonical SMILES for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)C(C)C2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCN(C(=O)OC(C)(C)C)CC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCNCC2)CCN(C(C)C)CC1.CC(C)OC(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.CC1CN(CC2(NC(=O)OC(C)C)CCN(C(C)C)CC2)CCN1.CCOC(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.COC1CN(C(C)C)CCC1NC(=O)OC(C)C.

What is the InChIKey of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?

The InChIKey is UEOBSIBGEPNHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O4.C22H42N4O4.C18H36N4O2.C17H34N4O2.C17H33N3O3.C16H31N3O3.C13H26N2O3/c1-17(2)26-11-9-23(10-12-26,24-20(28)30-18(3)4)16-25-13-14-27(19(5)15-25)21(29)31-22(6,7)8;1-17(2)25-10-8-22(9-11-25,23-19(27)29-18(3)4)16-24-12-14-26(15-13-24)20(28)30-21(5,6)7;1-14(2)22-9-6-18(7-10-22,20-17(23)24-15(3)4)13-21-11-8-19-16(5)12-21;1-14(2)21-9-5-17(6-10-21,19-16(22)23-15(3)4)13-20-11-7-18-8-12-20;1-14(2)20-7-5-17(6-8-20,18-16(21)23-15(3)4)13-19-9-11-22-12-10-19;1-4-22-15(20)17-16(13-18-9-11-21-12-10-18)5-7-19(8-6-16)14(2)3;1-9(2)15-7-6-11(12(8-15)17-5)14-13(16)18-10(3)4/h17-19H,9-16H2,1-8H3,(H,24,28);17-18H,8-16H2,1-7H3,(H,23,27);14-16,19H,6-13H2,1-5H3,(H,20,23);14-15,18H,5-13H2,1-4H3,(H,19,22);14-15H,5-13H2,1-4H3,(H,18,21);14H,4-13H2,1-3H3,(H,17,20);9-12H,6-8H2,1-5H3,(H,14,16).

What are the key properties of tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate?

tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate has a molecular weight of 2433.50 g/mol, XLogP of 13.77, 34 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-methyl-4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[1-propan-2-yl-4-(propan-2-yloxycarbonylamino)piperidin-4-yl]methyl]piperazine-1-carboxylate;ethyl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-(3-methoxy-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-[4-[(3-methylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate;propan-2-yl N-[4-(piperazin-1-ylmethyl)-1-propan-2-ylpiperidin-4-yl]carbamate is sourced from PubChem (CID 161070189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).