[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

C16H20N2O3 — CID 109051623

IUPAC[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-6-1-2-7-17)13-4-3-5-14(12-13)16(20)18-8-10-21-11-9-18/h3-5,12H,1-2,6-11H2
InChIKeyVGNBSWFVIGNXIS-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.39
Rot. Bonds2

About [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 109051623) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID109051623
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(17-6-1-2-7-17)13-4-3-5-14(12-13)16(20)18-8-10-21-11-9-18/h3-5,12H,1-2,6-11H2
InChIKeyVGNBSWFVIGNXIS-UHFFFAOYSA-N
XLogP1.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051667
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897

Frequently Asked Questions

What is the IUPAC name of [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 109051623) is [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(C(=O)N2CCOCC2)c1)N1CCCC1.
What is the InChIKey of [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is VGNBSWFVIGNXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-6-1-2-7-17)13-4-3-5-14(12-13)16(20)18-8-10-21-11-9-18/h3-5,12H,1-2,6-11H2.
What are the key properties of [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 288.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109051623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).