[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride

C16H23ClN2O3 — CID 119700017

IUPAC[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCOc1cccc(C2CCCN2C(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-13-5-2-4-12(10-13)14-6-3-8-18(14)16(19)15-11-17-7-9-21-15;/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3;1H
InChIKeyZEOGHOTZTHCOMF-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.77
Rot. Bonds3

About [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119700017) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119700017
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCOc1cccc(C2CCCN2C(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-20-13-5-2-4-12(10-13)14-6-3-8-18(14)16(19)15-11-17-7-9-21-15;/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3;1H
InChIKeyZEOGHOTZTHCOMF-UHFFFAOYSA-N
XLogP1.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119792784
[2-(3-methylphenyl)azepan-1-yl]-morpholin-2-ylmethanone
CID 119792785
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119829453
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
morpholin-2-yl-(2-naphthalen-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119749313
2-(azetidin-3-ylidene)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 116676267
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119700017) is [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is COc1cccc(C2CCCN2C(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is ZEOGHOTZTHCOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-20-13-5-2-4-12(10-13)14-6-3-8-18(14)16(19)15-11-17-7-9-21-15;/h2,4-5,10,14-15,17H,3,6-9,11H2,1H3;1H.
What are the key properties of [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119700017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).