4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide

C17H23N3O3 — CID 122141657

IUPAC4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide
SMILESCN1CCCC1C1COCCN1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19-8-2-3-14(19)15-11-23-10-9-20(15)17(22)13-6-4-12(5-7-13)16(18)21/h4-7,14-15H,2-3,8-11H2,1H3,(H2,18,21)
InChIKeyZZAVQQJJACNUMF-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.72
Rot. Bonds3

About 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide

4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide (PubChem CID 122141657) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide.

Molecular Properties

Compound Name4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide
PubChem CID122141657
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide
SMILESCN1CCCC1C1COCCN1C(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C17H23N3O3/c1-19-8-2-3-14(19)15-11-23-10-9-20(15)17(22)13-6-4-12(5-7-13)16(18)21/h4-7,14-15H,2-3,8-11H2,1H3,(H2,18,21)
InChIKeyZZAVQQJJACNUMF-UHFFFAOYSA-N
XLogP0.72
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-hydroxycyclopentyl)morpholine-4-carbonyl]benzamide
CID 128987896
1,3-dihydro-2-benzofuran-5-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95342094
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
[4-(3-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95333942
(4-cyclobutylphenyl)-[(3S)-3-[(1R,2S)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129351779
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290642
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899
4-[(2S)-2-(oxan-4-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 129470732
(4-chlorophenyl)-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]methanone
CID 129447461

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide?
The IUPAC name of 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide (CID 122141657) is 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide.
What is the SMILES notation for 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide?
The canonical SMILES for 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide is CN1CCCC1C1COCCN1C(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide?
The InChIKey is ZZAVQQJJACNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-8-2-3-14(19)15-11-23-10-9-20(15)17(22)13-6-4-12(5-7-13)16(18)21/h4-7,14-15H,2-3,8-11H2,1H3,(H2,18,21).
What are the key properties of 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide?
4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrrolidin-2-yl)morpholine-4-carbonyl]benzamide is sourced from PubChem (CID 122141657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).