8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane

C119H178F6N10O6 — CID 160503246

IUPAC8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCN(CC(O)C(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2O)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CN1C2CCC1CC(n1cc(C(C)(C)C)cn1)C2.CN1CCCC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1=O
InChIInChI=1S/C21H30N2O2.C18H26F3NO.C18H26F3N.C17H25NO.C15H25N3.2C15H23NO/c1-20(2,3)17-9-7-16(8-10-17)18(24)23-14-6-12-21(15-23)11-5-13-22(4)19(21)25;1-17(2,3)15-6-4-13(5-7-15)14-8-10-22(11-9-14)12-16(23)18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;1-15(2,3)11-9-16-18(10-11)14-7-12-5-6-13(8-14)17(12)4;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)12-6-4-11(5-7-12)13-8-9-16-10-14(13)17/h7-10H,5-6,11-15H2,1-4H3;4-7,14,16,23H,8-12H2,1-3H3;4-7,15H,8-13H2,1-3H3;5-8,15H,9-12H2,1-4H3;9-10,12-14H,5-8H2,1-4H3;4-7H,8-12H2,1-3H3;4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyQSBHIKFSUKDXDI-UHFFFAOYSA-N
MW1958.78 g/mol
LogP24.59
Rot. Bonds12

About 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane

8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 160503246) has the molecular formula C119H178F6N10O6 and a molecular weight of 1958.78 g/mol. Its IUPAC name is 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane
PubChem CID160503246
Molecular FormulaC119H178F6N10O6
Molecular Weight1958.78 g/mol
Exact Mass1957.38
IUPAC Name8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane
SMILESCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCN(CC(O)C(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2O)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CN1C2CCC1CC(n1cc(C(C)(C)C)cn1)C2.CN1CCCC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1=O
InChIInChI=1S/C21H30N2O2.C18H26F3NO.C18H26F3N.C17H25NO.C15H25N3.2C15H23NO/c1-20(2,3)17-9-7-16(8-10-17)18(24)23-14-6-12-21(15-23)11-5-13-22(4)19(21)25;1-17(2,3)15-6-4-13(5-7-15)14-8-10-22(11-9-14)12-16(23)18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;1-15(2,3)11-9-16-18(10-11)14-7-12-5-6-13(8-14)17(12)4;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)12-6-4-11(5-7-12)13-8-9-16-10-14(13)17/h7-10H,5-6,11-15H2,1-4H3;4-7,14,16,23H,8-12H2,1-3H3;4-7,15H,8-13H2,1-3H3;5-8,15H,9-12H2,1-4H3;9-10,12-14H,5-8H2,1-4H3;4-7H,8-12H2,1-3H3;4-7,13-14,16-17H,8-10H2,1-3H3
InChIKeyQSBHIKFSUKDXDI-UHFFFAOYSA-N
XLogP24.59
TPSA153.43 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001958.78
LogP ≤ 524.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane (CID 160503246) is 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane is CC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1.CC(C)(C)c1ccc(C2CCN(CC(O)C(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)cc1.CC(C)(C)c1ccc(C2CCNCC2O)cc1.CC(C)(C)c1ccc(CN2CCOCC2)cc1.CN1C2CCC1CC(n1cc(C(C)(C)C)cn1)C2.CN1CCCC2(CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)C1=O.
What is the InChIKey of 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is QSBHIKFSUKDXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2.C18H26F3NO.C18H26F3N.C17H25NO.C15H25N3.2C15H23NO/c1-20(2,3)17-9-7-16(8-10-17)18(24)23-14-6-12-21(15-23)11-5-13-22(4)19(21)25;1-17(2,3)15-6-4-13(5-7-15)14-8-10-22(11-9-14)12-16(23)18(19,20)21;1-17(2,3)16-6-4-14(5-7-16)15-8-11-22(12-9-15)13-10-18(19,20)21;1-13(19)18-11-9-15(10-12-18)14-5-7-16(8-6-14)17(2,3)4;1-15(2,3)11-9-16-18(10-11)14-7-12-5-6-13(8-14)17(12)4;1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16;1-15(2,3)12-6-4-11(5-7-12)13-8-9-16-10-14(13)17/h7-10H,5-6,11-15H2,1-4H3;4-7,14,16,23H,8-12H2,1-3H3;4-7,15H,8-13H2,1-3H3;5-8,15H,9-12H2,1-4H3;9-10,12-14H,5-8H2,1-4H3;4-7H,8-12H2,1-3H3;4-7,13-14,16-17H,8-10H2,1-3H3.
What are the key properties of 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane?
8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 1958.78 g/mol, XLogP of 24.59, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-tert-butylbenzoyl)-2-methyl-2,8-diazaspiro[5.5]undecan-1-one;4-[(4-tert-butylphenyl)methyl]morpholine;4-(4-tert-butylphenyl)piperidin-3-ol;1-[4-(4-tert-butylphenyl)piperidin-1-yl]ethanone;3-[4-(4-tert-butylphenyl)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;4-(4-tert-butylphenyl)-1-(3,3,3-trifluoropropyl)piperidine;3-(4-tert-butylpyrazol-1-yl)-8-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 160503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).