[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

C21H28N2O4 — CID 131654519

IUPAC[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(C(=O)N2CC(C(=O)N3CCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C21H28N2O4/c1-26-17-6-4-5-16(13-17)19(24)23-14-18(20(25)22-9-2-3-10-22)21(15-23)7-11-27-12-8-21/h4-6,13,18H,2-3,7-12,14-15H2,1H3
InChIKeyYQHIPCKTQMQZMW-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.19
Rot. Bonds3

About [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone

[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131654519) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID131654519
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(C(=O)N2CC(C(=O)N3CCCC3)C3(CCOCC3)C2)c1
InChIInChI=1S/C21H28N2O4/c1-26-17-6-4-5-16(13-17)19(24)23-14-18(20(25)22-9-2-3-10-22)21(15-23)7-11-27-12-8-21/h4-6,13,18H,2-3,7-12,14-15H2,1H3
InChIKeyYQHIPCKTQMQZMW-UHFFFAOYSA-N
XLogP2.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138806078
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
(3-methoxyphenyl)-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 91912523
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-[6-(3-methoxybenzoyl)-6-azaspiro[3.4]octan-8-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 154579632
N-(cyclopropylmethyl)-6-(3-methoxybenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881364
[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methoxyphenyl)methanone
CID 97418517
2-(3-fluoro-4-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 138809547
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
(4S)-2-[(3-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440237
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone (CID 131654519) is [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is COc1cccc(C(=O)N2CC(C(=O)N3CCCC3)C3(CCOCC3)C2)c1.
What is the InChIKey of [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YQHIPCKTQMQZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-17-6-4-5-16(13-17)19(24)23-14-18(20(25)22-9-2-3-10-22)21(15-23)7-11-27-12-8-21/h4-6,13,18H,2-3,7-12,14-15H2,1H3.
What are the key properties of [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone?
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131654519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).