3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

C19H27N3O3 — CID 172666090

IUPAC3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCN(c3cccc(O)c3)CC2)CC12CCNCC2
InChIInChI=1S/C19H27N3O3/c23-16-3-1-2-15(12-16)22-10-8-21(9-11-22)14-17-13-19(18(24)25-17)4-6-20-7-5-19/h1-3,12,17,20,23H,4-11,13-14H2
InChIKeyUTEXFAGRDHEFPH-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.20
Rot. Bonds3

About 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one

3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172666090) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172666090
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESO=C1OC(CN2CCN(c3cccc(O)c3)CC2)CC12CCNCC2
InChIInChI=1S/C19H27N3O3/c23-16-3-1-2-15(12-16)22-10-8-21(9-11-22)14-17-13-19(18(24)25-17)4-6-20-7-5-19/h1-3,12,17,20,23H,4-11,13-14H2
InChIKeyUTEXFAGRDHEFPH-UHFFFAOYSA-N
XLogP1.20
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172666090) is 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is O=C1OC(CN2CCN(c3cccc(O)c3)CC2)CC12CCNCC2.
What is the InChIKey of 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is UTEXFAGRDHEFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-16-3-1-2-15(12-16)22-10-8-21(9-11-22)14-17-13-19(18(24)25-17)4-6-20-7-5-19/h1-3,12,17,20,23H,4-11,13-14H2.
What are the key properties of 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one?
3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 345.44 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-hydroxyphenyl)piperazin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172666090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).