4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine

C24H32N4O — CID 137339195

IUPAC4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine
SMILESc1ccc(CCC23CNCC2CN(c2ccc(CN4CCOCC4)cn2)C3)cc1
InChIInChI=1S/C24H32N4O/c1-2-4-20(5-3-1)8-9-24-18-25-15-22(24)17-28(19-24)23-7-6-21(14-26-23)16-27-10-12-29-13-11-27/h1-7,14,22,25H,8-13,15-19H2
InChIKeyNKGUVJVUKXZVPY-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.57
Rot. Bonds6

About 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine

4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine (PubChem CID 137339195) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine
PubChem CID137339195
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine
SMILESc1ccc(CCC23CNCC2CN(c2ccc(CN4CCOCC4)cn2)C3)cc1
InChIInChI=1S/C24H32N4O/c1-2-4-20(5-3-1)8-9-24-18-25-15-22(24)17-28(19-24)23-7-6-21(14-26-23)16-27-10-12-29-13-11-27/h1-7,14,22,25H,8-13,15-19H2
InChIKeyNKGUVJVUKXZVPY-UHFFFAOYSA-N
XLogP2.57
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906
3a-(2-phenylethyl)-5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 137336463
3a-(2-phenylethyl)-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 154917407
5-[(2,5-difluorophenyl)methyl]-3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 154917539
2-[(1-methylimidazol-2-yl)methyl]-3a-(2-phenylethyl)-5-pyridin-2-yl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 138387383
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
2-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]chromen-4-one
CID 137336697
3-[4-[[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-5-chloro-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole;dihydrochloride
CID 154917382
1-benzyl-4-[5-(bromomethyl)-2-pyridinyl]piperazine
CID 107079127
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
1-benzyl-N-[(6-morpholin-4-yl-3-pyridinyl)sulfanyl]pyrrolidin-3-amine
CID 166097327

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine?
The IUPAC name of 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine (CID 137339195) is 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine?
The canonical SMILES for 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine is c1ccc(CCC23CNCC2CN(c2ccc(CN4CCOCC4)cn2)C3)cc1.
What is the InChIKey of 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine?
The InChIKey is NKGUVJVUKXZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-4-20(5-3-1)8-9-24-18-25-15-22(24)17-28(19-24)23-7-6-21(14-26-23)16-27-10-12-29-13-11-27/h1-7,14,22,25H,8-13,15-19H2.
What are the key properties of 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine?
4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine has a molecular weight of 392.55 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3a-(2-phenylethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 137339195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).