[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone

C17H24N2O4 — CID 138012580

IUPAC[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CC2(CCOCC2)CCC1CO
InChIInChI=1S/C17H24N2O4/c1-22-14-3-2-8-18-15(14)16(21)19-12-17(5-4-13(19)11-20)6-9-23-10-7-17/h2-3,8,13,20H,4-7,9-12H2,1H3
InChIKeyRSZFJGXTRBZOHH-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.48
Rot. Bonds3

About [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone

[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone (PubChem CID 138012580) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone
PubChem CID138012580
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone
SMILESCOc1cccnc1C(=O)N1CC2(CCOCC2)CCC1CO
InChIInChI=1S/C17H24N2O4/c1-22-14-3-2-8-18-15(14)16(21)19-12-17(5-4-13(19)11-20)6-9-23-10-7-17/h2-3,8,13,20H,4-7,9-12H2,1H3
InChIKeyRSZFJGXTRBZOHH-UHFFFAOYSA-N
XLogP1.48
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(hydroxymethyl)-2-methoxyphenyl]-[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]methanone
CID 138012575
bromo 3-methoxypyridine-2-carboxylate
CID 71151009
1-cyclohexyl-4-(3-methoxypyridine-2-carbonyl)piperazin-2-one
CID 56918809
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
CID 114054354
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
(2,6-dimethoxyphenyl)-[(1S,2S,7S,10S)-1-hydroxy-4,12-dioxa-8-azatricyclo[8.4.0.02,7]tetradecan-8-yl]methanone
CID 118783227
3-methoxy-2-prop-1-en-2-ylpyridine
CID 146416836
3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol
CID 154846581
2-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 166317595
(3-ethoxy-2-pyridinyl)-[3-[4-(morpholin-4-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 126817567
N-[4-[3-(hydroxymethyl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]phenyl]-N-methylprop-2-enamide
CID 166414247

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone?
The IUPAC name of [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone (CID 138012580) is [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone is COc1cccnc1C(=O)N1CC2(CCOCC2)CCC1CO.
What is the InChIKey of [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone?
The InChIKey is RSZFJGXTRBZOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-3-2-8-18-15(14)16(21)19-12-17(5-4-13(19)11-20)6-9-23-10-7-17/h2-3,8,13,20H,4-7,9-12H2,1H3.
What are the key properties of [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone?
[3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]-(3-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 138012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).