3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane

C60H114N6O6 — CID 158108104

IUPAC3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane
SMILESCC(C)(C)C1CCCOC1.CC(C)(C)C1CCN(C(=O)[C@@H]2COCCN2)CC1.CC(C)C1CCN(C(=O)C2CCCN(C)C2)CC1.CC(C)C1CCN(C(=O)C2CCN(C)C2)CC1.CC(C)C1CCOCC1
InChIInChI=1S/C15H28N2O.C14H26N2O2.C14H26N2O.C9H18O.C8H16O/c1-12(2)13-6-9-17(10-7-13)15(18)14-5-4-8-16(3)11-14;1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12;1-11(2)12-5-8-16(9-6-12)14(17)13-4-7-15(3)10-13;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8/h12-14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11-13H,4-10H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3/t;12-;;;/m.0.../s1
InChIKeyFQBVOEZKEXMHHU-ZDJNGQJDSA-N
MW1015.61 g/mol
LogP9.84
Rot. Bonds6

About 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane

3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane (PubChem CID 158108104) has the molecular formula C60H114N6O6 and a molecular weight of 1015.61 g/mol. Its IUPAC name is 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane.

Molecular Properties

Compound Name3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane
PubChem CID158108104
Molecular FormulaC60H114N6O6
Molecular Weight1015.61 g/mol
Exact Mass1014.88
IUPAC Name3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane
SMILESCC(C)(C)C1CCCOC1.CC(C)(C)C1CCN(C(=O)[C@@H]2COCCN2)CC1.CC(C)C1CCN(C(=O)C2CCCN(C)C2)CC1.CC(C)C1CCN(C(=O)C2CCN(C)C2)CC1.CC(C)C1CCOCC1
InChIInChI=1S/C15H28N2O.C14H26N2O2.C14H26N2O.C9H18O.C8H16O/c1-12(2)13-6-9-17(10-7-13)15(18)14-5-4-8-16(3)11-14;1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12;1-11(2)12-5-8-16(9-6-12)14(17)13-4-7-15(3)10-13;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8/h12-14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11-13H,4-10H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3/t;12-;;;/m.0.../s1
InChIKeyFQBVOEZKEXMHHU-ZDJNGQJDSA-N
XLogP9.84
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001015.61
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane with MolForge

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Launch Full Analysis

Related Compounds

morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
[1-(oxane-4-carbonyl)piperidin-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764611
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
CID 171417283
(4-tert-butylazepan-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119326041
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
4-tert-butyloxane;3-tert-butyloxolane;4-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone
CID 161225048

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane?
The IUPAC name of 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane (CID 158108104) is 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane.
What is the SMILES notation for 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane?
The canonical SMILES for 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane is CC(C)(C)C1CCCOC1.CC(C)(C)C1CCN(C(=O)[C@@H]2COCCN2)CC1.CC(C)C1CCN(C(=O)C2CCCN(C)C2)CC1.CC(C)C1CCN(C(=O)C2CCN(C)C2)CC1.CC(C)C1CCOCC1.
What is the InChIKey of 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane?
The InChIKey is FQBVOEZKEXMHHU-ZDJNGQJDSA-N. The full InChI is InChI=1S/C15H28N2O.C14H26N2O2.C14H26N2O.C9H18O.C8H16O/c1-12(2)13-6-9-17(10-7-13)15(18)14-5-4-8-16(3)11-14;1-14(2,3)11-4-7-16(8-5-11)13(17)12-10-18-9-6-15-12;1-11(2)12-5-8-16(9-6-12)14(17)13-4-7-15(3)10-13;1-9(2,3)8-5-4-6-10-7-8;1-7(2)8-3-5-9-6-4-8/h12-14H,4-11H2,1-3H3;11-12,15H,4-10H2,1-3H3;11-13H,4-10H2,1-3H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3/t;12-;;;/m.0.../s1.
What are the key properties of 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane?
3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane has a molecular weight of 1015.61 g/mol, XLogP of 9.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyloxane;(4-tert-butylpiperidin-1-yl)-[(3S)-morpholin-3-yl]methanone;(1-methylpiperidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;(1-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone;4-propan-2-yloxane is sourced from PubChem (CID 158108104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).