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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Related Compounds

3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 149302733
3-[[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 175644627
formic acid;8-(3-hydroxybenzoyl)-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172912463
(3S)-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837559
3-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172913258
3-[(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172661294
3-[(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172912720
(3S)-8-methylsulfonyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 134535017
5-[4-[2-(5-oxo-6-oxaspiro[3.4]octan-7-yl)ethyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 122695674
5-[4-[2-(1-oxo-2-oxaspiro[4.5]decan-3-yl)ethyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 118947113
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
(3R)-8-(azetidine-2-carbonyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 167327835

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).