2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

C110H204N20O5 — CID 157096040

IUPAC2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H41N3.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C15H26N4O/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3
InChIKeyAFFIGEZYUOTNKY-UHFFFAOYSA-N
MW1886.98 g/mol
LogP17.59
Rot. Bonds22

About 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine

2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 157096040) has the molecular formula C110H204N20O5 and a molecular weight of 1886.98 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
PubChem CID157096040
Molecular FormulaC110H204N20O5
Molecular Weight1886.98 g/mol
Exact Mass1885.63
IUPAC Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1
InChIInChI=1S/C21H41N3.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C15H26N4O/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3
InChIKeyAFFIGEZYUOTNKY-UHFFFAOYSA-N
XLogP17.59
TPSA170.54 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001886.98
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine (CID 157096040) is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is CC(C)(C)N1CCC(CN2CCC3(CC2)CN(C(C)(C)C)C3)CC1.CC(C)(C)OCCCN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(C)(C)OCCN1CCN(c2ccc(C(C)(C)C)cn2)CC1.CC(C)(C)OCCN1CCN(c2cnc(C(C)(C)C)cn2)CC1.CC(C)(C)c1cnn(CCCN2CCN(C(C)(C)C)CC2)c1.Cc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1.
What is the InChIKey of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is AFFIGEZYUOTNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3.C19H33N3O.C19H38N2O2.C18H32N4O.C18H34N4.C15H26N4O/c1-19(2,3)23-11-7-18(8-12-23)15-22-13-9-21(10-14-22)16-24(17-21)20(4,5)6;1-18(2,3)16-7-8-17(20-15-16)22-11-9-21(10-12-22)13-14-23-19(4,5)6;1-17(2,3)21-11-8-19(9-12-21)16-20(13-15-23-19)10-7-14-22-18(4,5)6;1-17(2,3)15-13-20-16(14-19-15)22-9-7-21(8-10-22)11-12-23-18(4,5)6;1-17(2,3)16-14-19-22(15-16)9-7-8-20-10-12-21(13-11-20)18(4,5)6;1-13-11-16-14(17-12-13)19-7-5-18(6-8-19)9-10-20-15(2,3)4/h18H,7-17H2,1-6H3;7-8,15H,9-14H2,1-6H3;7-16H2,1-6H3;13-14H,7-12H2,1-6H3;14-15H,7-13H2,1-6H3;11-12H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine?
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 1886.98 g/mol, XLogP of 17.59, 22 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-2,7-diazaspiro[3.5]nonane;1-tert-butyl-4-[3-(4-tert-butylpyrazol-1-yl)propyl]piperazine;2-tert-butyl-5-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrazine;9-tert-butyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]-1-oxa-4,9-diazaspiro[5.5]undecane;1-(5-tert-butyl-2-pyridinyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;5-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 157096040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).