3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one

C84H164N10O11 — CID 159908300

IUPAC3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESC.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(N)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CNC(C)C(=O)CC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C19H36N2O3.2C18H34N2O3.2C14H28N2O.CH4/c1-8-15(20-17(23)24-18(4,5)6)16(22)13-19(7)9-11-21(12-10-19)14(2)3;2*1-13(2)20-10-8-18(7,9-11-20)12-15(21)14(3)19-16(22)23-17(4,5)6;1-11(2)16-8-6-14(4,7-9-16)10-13(17)12(3)15-5;1-5-12(15)13(17)10-14(4)6-8-16(9-7-14)11(2)3;/h14-15H,8-13H2,1-7H3,(H,20,23);2*13-14H,8-12H2,1-7H3,(H,19,22);11-12,15H,6-10H2,1-5H3;11-12H,5-10,15H2,1-4H3;1H4
InChIKeyNWVWFQIMOPQMIG-UHFFFAOYSA-N
MW1490.29 g/mol
LogP15.39
Rot. Bonds26

About 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one

3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one (PubChem CID 159908300) has the molecular formula C84H164N10O11 and a molecular weight of 1490.29 g/mol. Its IUPAC name is 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one
PubChem CID159908300
Molecular FormulaC84H164N10O11
Molecular Weight1490.29 g/mol
Exact Mass1489.26
IUPAC Name3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one
SMILESC.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(N)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CNC(C)C(=O)CC1(C)CCN(C(C)C)CC1
InChIInChI=1S/C19H36N2O3.2C18H34N2O3.2C14H28N2O.CH4/c1-8-15(20-17(23)24-18(4,5)6)16(22)13-19(7)9-11-21(12-10-19)14(2)3;2*1-13(2)20-10-8-18(7,9-11-20)12-15(21)14(3)19-16(22)23-17(4,5)6;1-11(2)16-8-6-14(4,7-9-16)10-13(17)12(3)15-5;1-5-12(15)13(17)10-14(4)6-8-16(9-7-14)11(2)3;/h14-15H,8-13H2,1-7H3,(H,20,23);2*13-14H,8-12H2,1-7H3,(H,19,22);11-12,15H,6-10H2,1-5H3;11-12H,5-10,15H2,1-4H3;1H4
InChIKeyNWVWFQIMOPQMIG-UHFFFAOYSA-N
XLogP15.39
TPSA254.59 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.29
LogP ≤ 515.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The IUPAC name of 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one (CID 159908300) is 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one.
What is the SMILES notation for 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The canonical SMILES for 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one is C.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(N)C(=O)CC1(C)CCN(C(C)C)CC1.CCC(NC(=O)OC(C)(C)C)C(=O)CC1(C)CCN(C(C)C)CC1.CNC(C)C(=O)CC1(C)CCN(C(C)C)CC1.
What is the InChIKey of 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one?
The InChIKey is NWVWFQIMOPQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3.2C18H34N2O3.2C14H28N2O.CH4/c1-8-15(20-17(23)24-18(4,5)6)16(22)13-19(7)9-11-21(12-10-19)14(2)3;2*1-13(2)20-10-8-18(7,9-11-20)12-15(21)14(3)19-16(22)23-17(4,5)6;1-11(2)16-8-6-14(4,7-9-16)10-13(17)12(3)15-5;1-5-12(15)13(17)10-14(4)6-8-16(9-7-14)11(2)3;/h14-15H,8-13H2,1-7H3,(H,20,23);2*13-14H,8-12H2,1-7H3,(H,19,22);11-12,15H,6-10H2,1-5H3;11-12H,5-10,15H2,1-4H3;1H4.
What are the key properties of 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one?
3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one has a molecular weight of 1490.29 g/mol, XLogP of 15.39, 26 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)pentan-2-one;bis(tert-butyl N-[4-(4-methyl-1-propan-2-ylpiperidin-4-yl)-3-oxobutan-2-yl]carbamate);tert-butyl N-[1-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxopentan-3-yl]carbamate;methane;3-(methylamino)-1-(4-methyl-1-propan-2-ylpiperidin-4-yl)butan-2-one is sourced from PubChem (CID 159908300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).