(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride

C17H25ClN2O2 — CID 119771459

IUPAC(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-7-3-2-5-14(16)15-6-4-10-19(15)17(20)12-8-9-13(18)11-12;/h2-3,5,7,12-13,15H,4,6,8-11,18H2,1H3;1H
InChIKeyNPIOEEKRGJDTTB-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.91
Rot. Bonds3

About (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride

(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride (PubChem CID 119771459) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
PubChem CID119771459
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
SMILESCOc1ccccc1C1CCCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-21-16-7-3-2-5-14(16)15-6-4-10-19(15)17(20)12-8-9-13(18)11-12;/h2-3,5,7,12-13,15H,4,6,8-11,18H2,1H3;1H
InChIKeyNPIOEEKRGJDTTB-UHFFFAOYSA-N
XLogP2.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3R)-3-aminocyclohexyl]-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124686929
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
(3-aminocyclohexyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119687293
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
(3-aminocyclohexyl)-[2-(2,3-dimethylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119806563
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride (CID 119771459) is (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride is COc1ccccc1C1CCCN1C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
The InChIKey is NPIOEEKRGJDTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-21-16-7-3-2-5-14(16)15-6-4-10-19(15)17(20)12-8-9-13(18)11-12;/h2-3,5,7,12-13,15H,4,6,8-11,18H2,1H3;1H.
What are the key properties of (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride?
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119771459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).