(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

C29H32N2O5 — CID 3763825

IUPAC(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC4(CCN(C(=O)c5cc6cccc(OC)c6o5)CC4)C3)CC2)cc1
InChIInChI=1S/C29H32N2O5/c1-34-22-8-6-21(7-9-22)29(10-11-29)27(33)31-17-14-28(19-31)12-15-30(16-13-28)26(32)24-18-20-4-3-5-23(35-2)25(20)36-24/h3-9,18H,10-17,19H2,1-2H3
InChIKeyPMSMIONETUHVJV-UHFFFAOYSA-N
MW488.58 g/mol
LogP4.64
Rot. Bonds5

About (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone

(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 3763825) has the molecular formula C29H32N2O5 and a molecular weight of 488.58 g/mol. Its IUPAC name is (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID3763825
Molecular FormulaC29H32N2O5
Molecular Weight488.58 g/mol
Exact Mass488.23
IUPAC Name(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC4(CCN(C(=O)c5cc6cccc(OC)c6o5)CC4)C3)CC2)cc1
InChIInChI=1S/C29H32N2O5/c1-34-22-8-6-21(7-9-22)29(10-11-29)27(33)31-17-14-28(19-31)12-15-30(16-13-28)26(32)24-18-20-4-3-5-23(35-2)25(20)36-24/h3-9,18H,10-17,19H2,1-2H3
InChIKeyPMSMIONETUHVJV-UHFFFAOYSA-N
XLogP4.64
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(2,6-difluoro-3-methylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 3800992
but-2-ynyl 8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3850826
(3-tert-butyl-1-methylpyrazol-5-yl)-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 3865072
(4-hydroxy-4-propylpiperidin-1-yl)-(7-methoxy-1-benzofuran-2-yl)methanone
CID 126808733
N-[(2S)-1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-4-methyl-1-oxopent-4-en-2-yl]acetamide
CID 74228605
methyl 2-[[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3667586
ethyl N-[1-[8-(7-methoxy-1-benzofuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 3759569
2-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 78864586
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 6472790
(7-methoxy-1-benzofuran-2-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 121091409
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
(2,3-dichlorophenyl)-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 78892364

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 3763825) is (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is COc1ccc(C2(C(=O)N3CCC4(CCN(C(=O)c5cc6cccc(OC)c6o5)CC4)C3)CC2)cc1.
What is the InChIKey of (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is PMSMIONETUHVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5/c1-34-22-8-6-21(7-9-22)29(10-11-29)27(33)31-17-14-28(19-31)12-15-30(16-13-28)26(32)24-18-20-4-3-5-23(35-2)25(20)36-24/h3-9,18H,10-17,19H2,1-2H3.
What are the key properties of (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 488.58 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1-benzofuran-2-yl)-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 3763825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).