(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate

C17H24N2O4 — CID 174847583

IUPAC(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate
SMILESCOC1CCCN1OC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H24N2O4/c1-21-16-6-3-7-19(16)23-17(20)15-5-2-4-14(12-15)13-18-8-10-22-11-9-18/h2,4-5,12,16H,3,6-11,13H2,1H3
InChIKeyYVUMLBCPSXNWCP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.66
Rot. Bonds5

About (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate

(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate (PubChem CID 174847583) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Name(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate
PubChem CID174847583
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate
SMILESCOC1CCCN1OC(=O)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C17H24N2O4/c1-21-16-6-3-7-19(16)23-17(20)15-5-2-4-14(12-15)13-18-8-10-22-11-9-18/h2,4-5,12,16H,3,6-11,13H2,1H3
InChIKeyYVUMLBCPSXNWCP-UHFFFAOYSA-N
XLogP1.66
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
3-[(6-cyclobutyl-1,4-oxazepan-4-yl)methyl]benzoic acid
CID 122034694
[(2R,4S)-2-methyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 124729193
methyl 3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]benzoate
CID 59382052
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
methyl 2-[[3-(morpholin-4-ylmethyl)benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 92680114
[1-(4-aminophenyl)sulfonylpiperidin-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 89185926
methyl 3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]benzoate;hydrochloride
CID 120842629
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 125147330
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103

Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate (CID 174847583) is (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate is COC1CCCN1OC(=O)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate?
The InChIKey is YVUMLBCPSXNWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-16-6-3-7-19(16)23-17(20)15-5-2-4-14(12-15)13-18-8-10-22-11-9-18/h2,4-5,12,16H,3,6-11,13H2,1H3.
What are the key properties of (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate?
(2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate has a molecular weight of 320.39 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrrolidin-1-yl) 3-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 174847583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).