1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H29NO2 — CID 51856452

IUPAC1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO2/c1-25-19-6-4-18(5-7-19)20-3-2-8-23(20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17,20H,2-3,8-14H2,1H3/t15?,16?,17?,20-,22?/m1/s1
InChIKeyRBSIGGDHBDKHKB-ILYDUKKLSA-N
MW339.48 g/mol
LogP4.58
Rot. Bonds3

About 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 51856452) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID51856452
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H29NO2/c1-25-19-6-4-18(5-7-19)20-3-2-8-23(20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17,20H,2-3,8-14H2,1H3/t15?,16?,17?,20-,22?/m1/s1
InChIKeyRBSIGGDHBDKHKB-ILYDUKKLSA-N
XLogP4.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 18097569
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608
2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 55323353
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 98785615
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 98785613
2-amino-2-ethyl-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 79814213
(2R)-2-amino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119270091
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 51856452) is 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc([C@H]2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RBSIGGDHBDKHKB-ILYDUKKLSA-N. The full InChI is InChI=1S/C22H29NO2/c1-25-19-6-4-18(5-7-19)20-3-2-8-23(20)21(24)22-12-15-9-16(13-22)11-17(10-15)14-22/h4-7,15-17,20H,2-3,8-14H2,1H3/t15?,16?,17?,20-,22?/m1/s1.
What are the key properties of 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 339.48 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51856452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).