1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C20H30N2O3 — CID 176502214

IUPAC1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCOc1ccc(CN2CCC3(CC2)CC(O)CN(C(C)=O)C3)cc1C
InChIInChI=1S/C20H30N2O3/c1-15-10-17(4-5-19(15)25-3)12-21-8-6-20(7-9-21)11-18(24)13-22(14-20)16(2)23/h4-5,10,18,24H,6-9,11-14H2,1-3H3
InChIKeyYDMDAMKHLVISPA-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.20
Rot. Bonds3

About 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 176502214) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID176502214
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCOc1ccc(CN2CCC3(CC2)CC(O)CN(C(C)=O)C3)cc1C
InChIInChI=1S/C20H30N2O3/c1-15-10-17(4-5-19(15)25-3)12-21-8-6-20(7-9-21)11-18(24)13-22(14-20)16(2)23/h4-5,10,18,24H,6-9,11-14H2,1-3H3
InChIKeyYDMDAMKHLVISPA-UHFFFAOYSA-N
XLogP2.20
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone with MolForge

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Related Compounds

[6-[(4-methoxy-3-methylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45179643
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
2-[4-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061983
4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-amine
CID 82291366
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
1-[4-hydroxy-9-(5-methoxy-1H-indole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171911779
2-(4-chlorophenyl)-1-[7-[(3-fluoro-4-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 97392995
1-[4-[[3-(aminomethyl)-4-methoxyphenyl]methyl]piperazin-1-yl]ethanone
CID 65340739
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
1-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110399292
(3aR,7aR)-2-[(4-methoxy-3-methylphenyl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336144
1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 176502214) is 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is COc1ccc(CN2CCC3(CC2)CC(O)CN(C(C)=O)C3)cc1C.
What is the InChIKey of 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is YDMDAMKHLVISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-10-17(4-5-19(15)25-3)12-21-8-6-20(7-9-21)11-18(24)13-22(14-20)16(2)23/h4-5,10,18,24H,6-9,11-14H2,1-3H3.
What are the key properties of 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-9-[(4-methoxy-3-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 176502214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).