tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol

C55H75ClN10O8 — CID 158514620

IUPACtert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(=O)c1cc(Cl)ccn1.CC(=O)c1cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccn1.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccnc(C(C)(C)O)c1)C2.CC(C)(O)c1cc(N2CC3(CNC3)C2)ccn1
InChIInChI=1S/C18H27N3O3.C17H23N3O3.C13H19N3O.C7H6ClNO/c1-16(2,3)24-15(22)21-11-18(12-21)9-20(10-18)13-6-7-19-14(8-13)17(4,5)23;1-12(21)14-7-13(5-6-18-14)19-8-17(9-19)10-20(11-17)15(22)23-16(2,3)4;1-12(2,17)11-5-10(3-4-15-11)16-8-13(9-16)6-14-7-13;1-5(10)7-4-6(8)2-3-9-7/h6-8,23H,9-12H2,1-5H3;5-7H,8-11H2,1-4H3;3-5,14,17H,6-9H2,1-2H3;2-4H,1H3
InChIKeyHLMBLSOMYKIEFX-UHFFFAOYSA-N
MW1039.72 g/mol
LogP7.36
Rot. Bonds7

About tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol

tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol (PubChem CID 158514620) has the molecular formula C55H75ClN10O8 and a molecular weight of 1039.72 g/mol. Its IUPAC name is tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Nametert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol
PubChem CID158514620
Molecular FormulaC55H75ClN10O8
Molecular Weight1039.72 g/mol
Exact Mass1038.55
IUPAC Nametert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol
SMILESCC(=O)c1cc(Cl)ccn1.CC(=O)c1cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccn1.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccnc(C(C)(C)O)c1)C2.CC(C)(O)c1cc(N2CC3(CNC3)C2)ccn1
InChIInChI=1S/C18H27N3O3.C17H23N3O3.C13H19N3O.C7H6ClNO/c1-16(2,3)24-15(22)21-11-18(12-21)9-20(10-18)13-6-7-19-14(8-13)17(4,5)23;1-12(21)14-7-13(5-6-18-14)19-8-17(9-19)10-20(11-17)15(22)23-16(2,3)4;1-12(2,17)11-5-10(3-4-15-11)16-8-13(9-16)6-14-7-13;1-5(10)7-4-6(8)2-3-9-7/h6-8,23H,9-12H2,1-5H3;5-7H,8-11H2,1-4H3;3-5,14,17H,6-9H2,1-2H3;2-4H,1H3
InChIKeyHLMBLSOMYKIEFX-UHFFFAOYSA-N
XLogP7.36
TPSA206.99 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.72
LogP ≤ 57.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,3R)-3-[(4-amino-6-chloro-3-pyridinyl)amino]cyclohexyl]carbamate;tert-butyl N-[(1S,3R)-3-[[6-chloro-4-(pyridine-2-carbonylamino)-3-pyridinyl]amino]cyclohexyl]carbamate;pyridine-2-carboxylic acid
CID 167692437

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol?
The IUPAC name of tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol (CID 158514620) is tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol is CC(=O)c1cc(Cl)ccn1.CC(=O)c1cc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccn1.CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccnc(C(C)(C)O)c1)C2.CC(C)(O)c1cc(N2CC3(CNC3)C2)ccn1.
What is the InChIKey of tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol?
The InChIKey is HLMBLSOMYKIEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.C17H23N3O3.C13H19N3O.C7H6ClNO/c1-16(2,3)24-15(22)21-11-18(12-21)9-20(10-18)13-6-7-19-14(8-13)17(4,5)23;1-12(21)14-7-13(5-6-18-14)19-8-17(9-19)10-20(11-17)15(22)23-16(2,3)4;1-12(2,17)11-5-10(3-4-15-11)16-8-13(9-16)6-14-7-13;1-5(10)7-4-6(8)2-3-9-7/h6-8,23H,9-12H2,1-5H3;5-7H,8-11H2,1-4H3;3-5,14,17H,6-9H2,1-2H3;2-4H,1H3.
What are the key properties of tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol?
tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol has a molecular weight of 1039.72 g/mol, XLogP of 7.36, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-acetyl-4-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate;tert-butyl 6-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;1-(4-chloro-2-pyridinyl)ethanone;2-[4-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 158514620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).