N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

C16H23N3O2 — CID 124613864

IUPACN-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCNC1
InChIInChI=1S/C16H23N3O2/c1-18(13-6-7-17-12-13)16(20)14-4-2-3-5-15(14)19-8-10-21-11-9-19/h2-5,13,17H,6-12H2,1H3/t13-/m0/s1
InChIKeyKCDYBWHPLPMYQX-ZDUSSCGKSA-N
MW289.38 g/mol
LogP0.96
Rot. Bonds3

About N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide

N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 124613864) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID124613864
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCNC1
InChIInChI=1S/C16H23N3O2/c1-18(13-6-7-17-12-13)16(20)14-4-2-3-5-15(14)19-8-10-21-11-9-19/h2-5,13,17H,6-12H2,1H3/t13-/m0/s1
InChIKeyKCDYBWHPLPMYQX-ZDUSSCGKSA-N
XLogP0.96
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-4-morpholin-4-yl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125147298
N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N,2,5-trimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119554350
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613861
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 124613864) is N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is CN(C(=O)c1ccccc1N1CCOCC1)[C@H]1CCNC1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is KCDYBWHPLPMYQX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(13-6-7-17-12-13)16(20)14-4-2-3-5-15(14)19-8-10-21-11-9-19/h2-5,13,17H,6-12H2,1H3/t13-/m0/s1.
What are the key properties of N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 289.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).