tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate

C108H212N16O12 — CID 159026473

IUPACtert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)C(O)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)COC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)N1CCC(C)(NC(=O)C2CC2)C1.CC(C)N1CCC(C)(NC(=O)CC2CC2)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)OC(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/3C14H28N2O2.C14H26N2O.C14H28N2O.C13H26N2O2.C13H26N2O.C12H22N2O/c1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-11(2)10-18-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)12(17)13(18)15-14(5)6-8-16(9-7-14)11(3)4;1-11(2)16-8-6-14(3,7-9-16)15-13(17)10-12-4-5-12;1-11(2)10-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)15-8-6-13(5,7-9-15)14-12(16)17-11(3)4;1-10(2)12(16)14-13(5)6-8-15(9-7-13)11(3)4;1-9(2)14-7-6-12(3,8-14)13-11(15)10-4-5-10/h11H,7-10H2,1-6H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-12,17H,6-9H2,1-5H3,(H,15,18);11-12H,4-10H2,1-3H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyJUILQBZKDMGAJJ-UHFFFAOYSA-N
MW1926.98 g/mol
LogP17.16
Rot. Bonds27

About tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate

tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 159026473) has the molecular formula C108H212N16O12 and a molecular weight of 1926.98 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate
PubChem CID159026473
Molecular FormulaC108H212N16O12
Molecular Weight1926.98 g/mol
Exact Mass1925.65
IUPAC Nametert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)C(O)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)COC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)N1CCC(C)(NC(=O)C2CC2)C1.CC(C)N1CCC(C)(NC(=O)CC2CC2)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)OC(=O)NC1(C)CCN(C(C)C)CC1
InChIInChI=1S/3C14H28N2O2.C14H26N2O.C14H28N2O.C13H26N2O2.C13H26N2O.C12H22N2O/c1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-11(2)10-18-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)12(17)13(18)15-14(5)6-8-16(9-7-14)11(3)4;1-11(2)16-8-6-14(3,7-9-16)15-13(17)10-12-4-5-12;1-11(2)10-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)15-8-6-13(5,7-9-15)14-12(16)17-11(3)4;1-10(2)12(16)14-13(5)6-8-15(9-7-13)11(3)4;1-9(2)14-7-6-12(3,8-14)13-11(15)10-4-5-10/h11H,7-10H2,1-6H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-12,17H,6-9H2,1-5H3,(H,15,18);11-12H,4-10H2,1-3H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyJUILQBZKDMGAJJ-UHFFFAOYSA-N
XLogP17.16
TPSA306.64 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms136
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001926.98
LogP ≤ 517.16
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate (CID 159026473) is tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate is CC(C)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)C(O)C(=O)NC1(C)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)COC(=O)NC1(C)CCN(C(C)C)CC1.CC(C)N1CCC(C)(NC(=O)C2CC2)C1.CC(C)N1CCC(C)(NC(=O)CC2CC2)CC1.CC(C)N1CCC(C)(NC(=O)OC(C)(C)C)CC1.CC(C)OC(=O)NC1(C)CCN(C(C)C)CC1.
What is the InChIKey of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate?
The InChIKey is JUILQBZKDMGAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H28N2O2.C14H26N2O.C14H28N2O.C13H26N2O2.C13H26N2O.C12H22N2O/c1-11(2)16-9-7-14(6,8-10-16)15-12(17)18-13(3,4)5;1-11(2)10-18-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)12(17)13(18)15-14(5)6-8-16(9-7-14)11(3)4;1-11(2)16-8-6-14(3,7-9-16)15-13(17)10-12-4-5-12;1-11(2)10-13(17)15-14(5)6-8-16(9-7-14)12(3)4;1-10(2)15-8-6-13(5,7-9-15)14-12(16)17-11(3)4;1-10(2)12(16)14-13(5)6-8-15(9-7-13)11(3)4;1-9(2)14-7-6-12(3,8-14)13-11(15)10-4-5-10/h11H,7-10H2,1-6H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-12,17H,6-9H2,1-5H3,(H,15,18);11-12H,4-10H2,1-3H3,(H,15,17);11-12H,6-10H2,1-5H3,(H,15,17);10-11H,6-9H2,1-5H3,(H,14,16);10-11H,6-9H2,1-5H3,(H,14,16);9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate?
tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate has a molecular weight of 1926.98 g/mol, XLogP of 17.16, 27 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;2-cyclopropyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)acetamide;2-hydroxy-3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;3-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)butanamide;2-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)propanamide;N-(3-methyl-1-propan-2-ylpyrrolidin-3-yl)cyclopropanecarboxamide;2-methylpropyl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate;propan-2-yl N-(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 159026473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).