1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

C19H29N3O3 — CID 110156983

IUPAC1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCC2(CC1)OCCCC2O)Cc1cccnc1
InChIInChI=1S/C19H29N3O3/c1-21(15-16-4-2-9-20-14-16)10-6-18(24)22-11-7-19(8-12-22)17(23)5-3-13-25-19/h2,4,9,14,17,23H,3,5-8,10-13,15H2,1H3
InChIKeySEOAAYOPSPCCGU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.44
Rot. Bonds5

About 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (PubChem CID 110156983) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
PubChem CID110156983
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCC2(CC1)OCCCC2O)Cc1cccnc1
InChIInChI=1S/C19H29N3O3/c1-21(15-16-4-2-9-20-14-16)10-6-18(24)22-11-7-19(8-12-22)17(23)5-3-13-25-19/h2,4,9,14,17,23H,3,5-8,10-13,15H2,1H3
InChIKeySEOAAYOPSPCCGU-UHFFFAOYSA-N
XLogP1.44
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 175654805
2-[benzyl(methyl)amino]-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97150357
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113120425
3-[methyl(pyridin-3-ylmethyl)amino]-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102620
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
4-(4-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 72926830
2,3-dihydro-1H-inden-2-yl-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 126430965
3-[methyl(pyridin-3-ylmethyl)amino]-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]propan-1-one
CID 110106525
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124959970
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-4-imidazol-1-ylbutan-1-one
CID 110159573
5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 119066269
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(4-methoxyphenyl)ethanone
CID 125024152

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (CID 110156983) is 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is CN(CCC(=O)N1CCC2(CC1)OCCCC2O)Cc1cccnc1.
What is the InChIKey of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The InChIKey is SEOAAYOPSPCCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-21(15-16-4-2-9-20-14-16)10-6-18(24)22-11-7-19(8-12-22)17(23)5-3-13-25-19/h2,4,9,14,17,23H,3,5-8,10-13,15H2,1H3.
What are the key properties of 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one has a molecular weight of 347.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 110156983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).