[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C20H31N3O2 — CID 119540253

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)C1
InChIInChI=1S/C20H31N3O2/c1-15-11-22(12-16(2)25-15)13-17-4-6-19(7-5-17)20(24)23-9-8-18(14-23)10-21-3/h4-7,15-16,18,21H,8-14H2,1-3H3
InChIKeyZXKVNIAEJAOSGL-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.98
Rot. Bonds5

About [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119540253) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119540253
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)C1
InChIInChI=1S/C20H31N3O2/c1-15-11-22(12-16(2)25-15)13-17-4-6-19(7-5-17)20(24)23-9-8-18(14-23)10-21-3/h4-7,15-16,18,21H,8-14H2,1-3H3
InChIKeyZXKVNIAEJAOSGL-UHFFFAOYSA-N
XLogP1.98
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

N-[[(3R)-1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100842649
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 125146017
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538843
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
1-[4-[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55623264

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119540253) is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)c2ccc(CN3CC(C)OC(C)C3)cc2)C1.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZXKVNIAEJAOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-11-22(12-16(2)25-15)13-17-4-6-19(7-5-17)20(24)23-9-8-18(14-23)10-21-3/h4-7,15-16,18,21H,8-14H2,1-3H3.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 345.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119540253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).