8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C87H173FN12O10S — CID 158050305

IUPAC8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)COC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCC2(CC1)NCCC2=O.CC(C)(C)N1CCCC(NCCO)C1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCC(=O)COC1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1
InChIInChI=1S/C14H27N3O3S.C13H25NO2.C13H27NO.C12H25FN2.C12H22N2O.C12H23NO2.C11H24N2O/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-5-11(15)10-16-12-6-8-14(9-7-12)13(2,3)4;1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-11(2,3)14-8-5-12(6-9-14)10(15)4-7-13-12;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14/h12H,4-11H2,1-3H3,(H,15,18);12H,5-10H2,1-4H3;11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;13H,4-9H2,1-3H3;11H,5-9H2,1-4H3;10,12,14H,4-9H2,1-3H3
InChIKeyFJKAEBXRMQVMJZ-UHFFFAOYSA-N
MW1598.48 g/mol
LogP12.19
Rot. Bonds19

About 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 158050305) has the molecular formula C87H173FN12O10S and a molecular weight of 1598.48 g/mol. Its IUPAC name is 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID158050305
Molecular FormulaC87H173FN12O10S
Molecular Weight1598.48 g/mol
Exact Mass1597.31
IUPAC Name8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCC(=O)COC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCC2(CC1)NCCC2=O.CC(C)(C)N1CCCC(NCCO)C1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCC(=O)COC1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1
InChIInChI=1S/C14H27N3O3S.C13H25NO2.C13H27NO.C12H25FN2.C12H22N2O.C12H23NO2.C11H24N2O/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-5-11(15)10-16-12-6-8-14(9-7-12)13(2,3)4;1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-11(2,3)14-8-5-12(6-9-14)10(15)4-7-13-12;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14/h12H,4-11H2,1-3H3,(H,15,18);12H,5-10H2,1-4H3;11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;13H,4-9H2,1-3H3;11H,5-9H2,1-4H3;10,12,14H,4-9H2,1-3H3
InChIKeyFJKAEBXRMQVMJZ-UHFFFAOYSA-N
XLogP12.19
TPSA224.38 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.48
LogP ≤ 512.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 158050305) is 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CC(=O)COC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(C(=O)NS(=O)(=O)N2CCCC2)CC1.CC(C)(C)N1CCC2(CC1)NCCC2=O.CC(C)(C)N1CCCC(NCCO)C1.CC(F)CNC1CCCN(C(C)(C)C)C1.CCC(=O)COC1CCN(C(C)(C)C)CC1.COCCC1CCN(C(C)(C)C)C(C)C1.
What is the InChIKey of 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FJKAEBXRMQVMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.C13H25NO2.C13H27NO.C12H25FN2.C12H22N2O.C12H23NO2.C11H24N2O/c1-14(2,3)16-10-6-12(7-11-16)13(18)15-21(19,20)17-8-4-5-9-17;1-5-11(15)10-16-12-6-8-14(9-7-12)13(2,3)4;1-11-10-12(7-9-15-5)6-8-14(11)13(2,3)4;1-10(13)8-14-11-6-5-7-15(9-11)12(2,3)4;1-11(2,3)14-8-5-12(6-9-14)10(15)4-7-13-12;1-10(14)9-15-11-5-7-13(8-6-11)12(2,3)4;1-11(2,3)13-7-4-5-10(9-13)12-6-8-14/h12H,4-11H2,1-3H3,(H,15,18);12H,5-10H2,1-4H3;11-12H,6-10H2,1-5H3;10-11,14H,5-9H2,1-4H3;13H,4-9H2,1-3H3;11H,5-9H2,1-4H3;10,12,14H,4-9H2,1-3H3.
What are the key properties of 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 1598.48 g/mol, XLogP of 12.19, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1,8-diazaspiro[4.5]decan-4-one;1-tert-butyl-N-(2-fluoropropyl)piperidin-3-amine;1-tert-butyl-4-(2-methoxyethyl)-2-methylpiperidine;2-[(1-tert-butylpiperidin-3-yl)amino]ethanol;1-(1-tert-butylpiperidin-4-yl)oxybutan-2-one;1-(1-tert-butylpiperidin-4-yl)oxypropan-2-one;1-tert-butyl-N-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 158050305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).