1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C18H24N2O3 — CID 97449095

IUPAC1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCC3(CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(21)19-10-7-18(8-11-19)9-12-20(13-18)17(22)15-3-5-16(23-2)6-4-15/h3-6H,7-13H2,1-2H3
InChIKeyIQUTZTWIHKDFST-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.17
Rot. Bonds2

About 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 97449095) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID97449095
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOc1ccc(C(=O)N2CCC3(CCN(C(C)=O)CC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(21)19-10-7-18(8-11-19)9-12-20(13-18)17(22)15-3-5-16(23-2)6-4-15/h3-6H,7-13H2,1-2H3
InChIKeyIQUTZTWIHKDFST-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
1-(4-methoxybenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982451
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
ethane;N-hydroxy-1'-(4-methoxybenzoyl)spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 145171330
(5S)-13-acetyl-9-(4-methoxybenzoyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97439565
(8-ethyl-2,8-diazaspiro[5.5]undecan-2-yl)-[4-(4-methoxyphenoxy)phenyl]methanone
CID 131909207
ethyl 3-(hydroxymethyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 59322203
(4-methoxyphenyl)-(2-pyridin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3235378
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[7-(furan-3-carbonyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472729

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 97449095) is 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COc1ccc(C(=O)N2CCC3(CCN(C(C)=O)CC3)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is IQUTZTWIHKDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(21)19-10-7-18(8-11-19)9-12-20(13-18)17(22)15-3-5-16(23-2)6-4-15/h3-6H,7-13H2,1-2H3.
What are the key properties of 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 97449095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).