1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one

C28H35N3O3 — CID 166631622

IUPAC1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one
SMILESO=C1CN(c2ccccc2)CCN1CC1(O)CCN(C(=O)Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C28H35N3O3/c32-25(19-23-9-3-1-4-10-23)30-16-15-28(34,27(21-30)13-7-8-14-27)22-31-18-17-29(20-26(31)33)24-11-5-2-6-12-24/h1-6,9-12,34H,7-8,13-22H2
InChIKeyCDEBIHWUOOUCAT-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.10
Rot. Bonds5

About 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one

1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one (PubChem CID 166631622) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one.

Molecular Properties

Compound Name1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one
PubChem CID166631622
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one
SMILESO=C1CN(c2ccccc2)CCN1CC1(O)CCN(C(=O)Cc2ccccc2)CC12CCCC2
InChIInChI=1S/C28H35N3O3/c32-25(19-23-9-3-1-4-10-23)30-16-15-28(34,27(21-30)13-7-8-14-27)22-31-18-17-29(20-26(31)33)24-11-5-2-6-12-24/h1-6,9-12,34H,7-8,13-22H2
InChIKeyCDEBIHWUOOUCAT-UHFFFAOYSA-N
XLogP3.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one?
The IUPAC name of 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one (CID 166631622) is 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one.
What is the SMILES notation for 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one?
The canonical SMILES for 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one is O=C1CN(c2ccccc2)CCN1CC1(O)CCN(C(=O)Cc2ccccc2)CC12CCCC2.
What is the InChIKey of 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one?
The InChIKey is CDEBIHWUOOUCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c32-25(19-23-9-3-1-4-10-23)30-16-15-28(34,27(21-30)13-7-8-14-27)22-31-18-17-29(20-26(31)33)24-11-5-2-6-12-24/h1-6,9-12,34H,7-8,13-22H2.
What are the key properties of 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one?
1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one has a molecular weight of 461.61 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[10-hydroxy-7-(2-phenylacetyl)-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenylpiperazin-2-one is sourced from PubChem (CID 166631622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).