9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

C24H34N2O4 — CID 162635318

IUPAC9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(CCC(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1
InChIInChI=1S/C24H34N2O4/c1-30-21-6-2-5-18(17-21)7-12-22(28)26-16-4-14-24(26)13-3-15-25(23(24)29)19-8-10-20(27)11-9-19/h2,5-6,17,19-20,27H,3-4,7-16H2,1H3
InChIKeyMASCPIGHLGDKDR-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.91
Rot. Bonds5

About 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635318) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635318
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cccc(CCC(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1
InChIInChI=1S/C24H34N2O4/c1-30-21-6-2-5-18(17-21)7-12-22(28)26-16-4-14-24(26)13-3-15-25(23(24)29)19-8-10-20(27)11-9-19/h2,5-6,17,19-20,27H,3-4,7-16H2,1H3
InChIKeyMASCPIGHLGDKDR-UHFFFAOYSA-N
XLogP2.91
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

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CID 66262478
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CID 124628214
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
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1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162635318) is 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is COc1cccc(CCC(=O)N2CCCC23CCCN(C2CCC(O)CC2)C3=O)c1.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is MASCPIGHLGDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-30-21-6-2-5-18(17-21)7-12-22(28)26-16-4-14-24(26)13-3-15-25(23(24)29)19-8-10-20(27)11-9-19/h2,5-6,17,19-20,27H,3-4,7-16H2,1H3.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 414.55 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-[3-(3-methoxyphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).