3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C22H28N2O3 — CID 24984414

IUPAC3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1CC#Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c25-21-24(18-22(27-21)10-2-1-3-11-22)12-4-5-19-6-8-20(9-7-19)17-23-13-15-26-16-14-23/h6-9H,1-3,10-18H2
InChIKeyYZCFLPMRCQTXAU-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds3

About 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 24984414) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID24984414
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCCCC2)CN1CC#Cc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3/c25-21-24(18-22(27-21)10-2-1-3-11-22)12-4-5-19-6-8-20(9-7-19)17-23-13-15-26-16-14-23/h6-9H,1-3,10-18H2
InChIKeyYZCFLPMRCQTXAU-UHFFFAOYSA-N
XLogP3.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[2-(4-methylphenyl)ethynyl]phenyl]methyl]morpholine
CID 123803734
(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129456932
3-[[4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24985420
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746992
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
3-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methyl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 24983793
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 74225351
4-[[4-[2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethynyl]phenyl]methyl]morpholine
CID 68756793

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 24984414) is 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCCCC2)CN1CC#Cc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is YZCFLPMRCQTXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-21-24(18-22(27-21)10-2-1-3-11-22)12-4-5-19-6-8-20(9-7-19)17-23-13-15-26-16-14-23/h6-9H,1-3,10-18H2.
What are the key properties of 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 368.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-ynyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 24984414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).