(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone

C18H27N3O3 — CID 171913809

IUPAC(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2
InChIInChI=1S/C18H27N3O3/c1-13-8-15(16(24-3)10-19-13)17(23)21-6-4-18(5-7-21)9-14(22)11-20(2)12-18/h8,10,14,22H,4-7,9,11-12H2,1-3H3
InChIKeyDPEPVEGTWRBAGK-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.32
Rot. Bonds2

About (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone

(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone (PubChem CID 171913809) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
PubChem CID171913809
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
SMILESCOc1cnc(C)cc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2
InChIInChI=1S/C18H27N3O3/c1-13-8-15(16(24-3)10-19-13)17(23)21-6-4-18(5-7-21)9-14(22)11-20(2)12-18/h8,10,14,22H,4-7,9,11-12H2,1-3H3
InChIKeyDPEPVEGTWRBAGK-UHFFFAOYSA-N
XLogP1.32
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone with MolForge

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Related Compounds

1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one
CID 171911181
formic acid;3-[(4-hydroxypiperidin-1-yl)methyl]-8-(5-methoxy-2-methylpyridine-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172910232
8-(5-methoxy-2-methylpyridine-4-carbonyl)-3-(morpholin-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172665856
1-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(4-methylphenoxy)ethanone
CID 171907543
[4-hydroxy-2-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 175643955
(2-methoxy-5-methylphenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534319
N-[4-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclobutanecarboxamide
CID 171915570
(5-methoxy-2-methyl-4-pyridinyl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 146039788
(3S)-8-(4,6-dimethylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97120302
1-(5-methoxy-2-methylpyridine-4-carbonyl)-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 163309851
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 146042813
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The IUPAC name of (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone (CID 171913809) is (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone is COc1cnc(C)cc1C(=O)N1CCC2(CC1)CC(O)CN(C)C2.
What is the InChIKey of (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone?
The InChIKey is DPEPVEGTWRBAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-8-15(16(24-3)10-19-13)17(23)21-6-4-18(5-7-21)9-14(22)11-20(2)12-18/h8,10,14,22H,4-7,9,11-12H2,1-3H3.
What are the key properties of (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone?
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone has a molecular weight of 333.43 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 171913809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).