5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one

C26H41N3O2 — CID 175913038

IUPAC5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CC3)CN(C3CCN(CC(C)C)CC3)C2=O)cc1
InChIInChI=1S/C26H41N3O2/c1-20(2)15-27-13-9-23(10-14-27)29-19-26(11-12-26)18-28(25(29)30)16-22-5-7-24(8-6-22)31-17-21(3)4/h5-8,20-21,23H,9-19H2,1-4H3
InChIKeyZWSKVDLVUYVUSD-UHFFFAOYSA-N
MW427.63 g/mol
LogP4.86
Rot. Bonds8

About 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one

5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one (PubChem CID 175913038) has the molecular formula C26H41N3O2 and a molecular weight of 427.63 g/mol. Its IUPAC name is 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one.

Molecular Properties

Compound Name5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one
PubChem CID175913038
Molecular FormulaC26H41N3O2
Molecular Weight427.63 g/mol
Exact Mass427.32
IUPAC Name5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one
SMILESCC(C)COc1ccc(CN2CC3(CC3)CN(C3CCN(CC(C)C)CC3)C2=O)cc1
InChIInChI=1S/C26H41N3O2/c1-20(2)15-27-13-9-23(10-14-27)29-19-26(11-12-26)18-28(25(29)30)16-22-5-7-24(8-6-22)31-17-21(3)4/h5-8,20-21,23H,9-19H2,1-4H3
InChIKeyZWSKVDLVUYVUSD-UHFFFAOYSA-N
XLogP4.86
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one?
The IUPAC name of 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one (CID 175913038) is 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one.
What is the SMILES notation for 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one?
The canonical SMILES for 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one is CC(C)COc1ccc(CN2CC3(CC3)CN(C3CCN(CC(C)C)CC3)C2=O)cc1.
What is the InChIKey of 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one?
The InChIKey is ZWSKVDLVUYVUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O2/c1-20(2)15-27-13-9-23(10-14-27)29-19-26(11-12-26)18-28(25(29)30)16-22-5-7-24(8-6-22)31-17-21(3)4/h5-8,20-21,23H,9-19H2,1-4H3.
What are the key properties of 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one?
5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one has a molecular weight of 427.63 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylpropoxy)phenyl]methyl]-7-[1-(2-methylpropyl)piperidin-4-yl]-5,7-diazaspiro[2.5]octan-6-one is sourced from PubChem (CID 175913038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).