5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C17H25N3O3 — CID 119066269

IUPAC5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccncc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C17H25N3O3/c21-15-2-1-13-23-17(15)6-11-20(12-7-17)16(22)19-10-5-14-3-8-18-9-4-14/h3-4,8-9,15,21H,1-2,5-7,10-13H2,(H,19,22)
InChIKeyNFVUSNPVGOHHHQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.34
Rot. Bonds3

About 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 119066269) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID119066269
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccncc1)N1CCC2(CC1)OCCCC2O
InChIInChI=1S/C17H25N3O3/c21-15-2-1-13-23-17(15)6-11-20(12-7-17)16(22)19-10-5-14-3-8-18-9-4-14/h3-4,8-9,15,21H,1-2,5-7,10-13H2,(H,19,22)
InChIKeyNFVUSNPVGOHHHQ-UHFFFAOYSA-N
XLogP1.34
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258758
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 126453764
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
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
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
(3aR,4R,7S,7aS)-N-(2-pyridin-4-ylethyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboxamide
CID 155955584
N-cyclopentyl-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 72870415
(3S)-3-[(2S)-oxolan-2-yl]-N-(2-pyridin-4-ylethyl)-2-azaspiro[3.3]heptane-2-carboxamide
CID 125143346
2-cyclopropyl-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 110159211
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)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 119066269) is 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCCc1ccncc1)N1CCC2(CC1)OCCCC2O.
What is the InChIKey of 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is NFVUSNPVGOHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15-2-1-13-23-17(15)6-11-20(12-7-17)16(22)19-10-5-14-3-8-18-9-4-14/h3-4,8-9,15,21H,1-2,5-7,10-13H2,(H,19,22).
What are the key properties of 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 119066269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).