(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone

C23H28N2O — CID 166303264

IUPAC(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
SMILESNC12CCC(C(=O)N3CCC(c4cccc5ccccc45)C3)(CC1)CC2
InChIInChI=1S/C23H28N2O/c24-23-12-9-22(10-13-23,11-14-23)21(26)25-15-8-18(16-25)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,18H,8-16,24H2
InChIKeyLKOTXQWOULPJLP-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.21
Rot. Bonds2

About (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone

(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone (PubChem CID 166303264) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
PubChem CID166303264
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
SMILESNC12CCC(C(=O)N3CCC(c4cccc5ccccc45)C3)(CC1)CC2
InChIInChI=1S/C23H28N2O/c24-23-12-9-22(10-13-23,11-14-23)21(26)25-15-8-18(16-25)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,18H,8-16,24H2
InChIKeyLKOTXQWOULPJLP-UHFFFAOYSA-N
XLogP4.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118793699
1-azabicyclo[3.3.1]nonan-5-yl-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 138030571
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
(1-aminocyclopropyl)-[3-(2-chlorophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 154905009
N-(5-chloro-2-pyridinyl)-2-(4-naphthalen-1-ylpiperidin-1-yl)-2-oxoacetamide
CID 138687757
2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
CID 23585284
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
1-[4-[(1S,2S)-2-naphthalen-1-ylcyclopropanecarbonyl]-1,4-diazepan-1-yl]ethanone
CID 97093023
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 75067607

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone (CID 166303264) is (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone is NC12CCC(C(=O)N3CCC(c4cccc5ccccc45)C3)(CC1)CC2.
What is the InChIKey of (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is LKOTXQWOULPJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c24-23-12-9-22(10-13-23,11-14-23)21(26)25-15-8-18(16-25)20-7-3-5-17-4-1-2-6-19(17)20/h1-7,18H,8-16,24H2.
What are the key properties of (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone?
(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 348.49 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 166303264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).