(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C19H26N2O2 — CID 119766023

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)C3C4CCC(C4)C3N)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-23-16-6-4-12(5-7-16)15-8-9-21(11-15)19(22)17-13-2-3-14(10-13)18(17)20/h4-7,13-15,17-18H,2-3,8-11,20H2,1H3
InChIKeyAPOMDPSOKBHVJM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.38
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 119766023) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID119766023
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCN(C(=O)C3C4CCC(C4)C3N)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-23-16-6-4-12(5-7-16)15-8-9-21(11-15)19(22)17-13-2-3-14(10-13)18(17)20/h4-7,13-15,17-18H,2-3,8-11,20H2,1H3
InChIKeyAPOMDPSOKBHVJM-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124698479
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
(3-amino-4-methylphenyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 86780197
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 119766023) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCN(C(=O)C3C4CCC(C4)C3N)C2)cc1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is APOMDPSOKBHVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-16-6-4-12(5-7-16)15-8-9-21(11-15)19(22)17-13-2-3-14(10-13)18(17)20/h4-7,13-15,17-18H,2-3,8-11,20H2,1H3.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119766023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).