tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide

C82H160N10O13 — CID 158798648

IUPACtert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1
InChIInChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.C12H23NO2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyITEPLQHBZPJMRQ-UHFFFAOYSA-N
MW1494.24 g/mol
LogP13.33
Rot. Bonds15

About tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide

tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 158798648) has the molecular formula C82H160N10O13 and a molecular weight of 1494.24 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Nametert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
PubChem CID158798648
Molecular FormulaC82H160N10O13
Molecular Weight1494.24 g/mol
Exact Mass1493.22
IUPAC Nametert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1
InChIInChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.C12H23NO2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyITEPLQHBZPJMRQ-UHFFFAOYSA-N
XLogP13.33
TPSA286.61 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.24
LogP ≤ 513.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide (CID 158798648) is tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide is CC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1.
What is the InChIKey of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The InChIKey is ITEPLQHBZPJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.C12H23NO2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-9(2)10-6-7-13(8-10)11(14)15-12(3,4)5;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide has a molecular weight of 1494.24 g/mol, XLogP of 13.33, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;tert-butyl 3-propan-2-ylpyrrolidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 158798648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).