3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide

C16H23N3O2 — CID 118695162

IUPAC3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1cccc(CN2CCOCC2)c1N1CCCC1
InChIInChI=1S/C16H23N3O2/c17-16(20)14-5-3-4-13(12-18-8-10-21-11-9-18)15(14)19-6-1-2-7-19/h3-5H,1-2,6-12H2,(H2,17,20)
InChIKeyHJCJSXQAOOOANW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.22
Rot. Bonds4

About 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide

3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide (PubChem CID 118695162) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide
PubChem CID118695162
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide
SMILESNC(=O)c1cccc(CN2CCOCC2)c1N1CCCC1
InChIInChI=1S/C16H23N3O2/c17-16(20)14-5-3-4-13(12-18-8-10-21-11-9-18)15(14)19-6-1-2-7-19/h3-5H,1-2,6-12H2,(H2,17,20)
InChIKeyHJCJSXQAOOOANW-UHFFFAOYSA-N
XLogP1.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-morpholin-4-ylbenzamide
CID 157343008
CID 131887032
CID 131887032
2-(morpholin-4-ylmethyl)benzohydrazide
CID 28985199
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
3,4-dimethyl-2-morpholin-4-ylbenzamide
CID 155069283
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
2-[(1-morpholin-4-ylcyclopentyl)methyl]benzamide
CID 162688696
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(piperidin-1-ylmethyl)benzamide
CID 46977871
2-[2-(morpholin-4-ylmethyl)phenyl]pyridine-4-carboxamide
CID 50967003

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide (CID 118695162) is 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide is NC(=O)c1cccc(CN2CCOCC2)c1N1CCCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide?
The InChIKey is HJCJSXQAOOOANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-16(20)14-5-3-4-13(12-18-8-10-21-11-9-18)15(14)19-6-1-2-7-19/h3-5H,1-2,6-12H2,(H2,17,20).
What are the key properties of 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide?
3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 118695162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).