2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone

C22H26N2O3 — CID 172904110

IUPAC2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
SMILESCOc1cc(CN2CCC(C(=O)N3CCc4ccccc43)C2)cc(OC)c1
InChIInChI=1S/C22H26N2O3/c1-26-19-11-16(12-20(13-19)27-2)14-23-9-7-18(15-23)22(25)24-10-8-17-5-3-4-6-21(17)24/h3-6,11-13,18H,7-10,14-15H2,1-2H3
InChIKeyYWGLXDQZSZAVGI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.12
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 172904110) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
PubChem CID172904110
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
SMILESCOc1cc(CN2CCC(C(=O)N3CCc4ccccc43)C2)cc(OC)c1
InChIInChI=1S/C22H26N2O3/c1-26-19-11-16(12-20(13-19)27-2)14-23-9-7-18(15-23)22(25)24-10-8-17-5-3-4-6-21(17)24/h3-6,11-13,18H,7-10,14-15H2,1-2H3
InChIKeyYWGLXDQZSZAVGI-UHFFFAOYSA-N
XLogP3.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902775
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
4-(2,3-dihydroindole-1-carbonyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-one
CID 113185135
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone (CID 172904110) is 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone is COc1cc(CN2CCC(C(=O)N3CCc4ccccc43)C2)cc(OC)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is YWGLXDQZSZAVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-19-11-16(12-20(13-19)27-2)14-23-9-7-18(15-23)22(25)24-10-8-17-5-3-4-6-21(17)24/h3-6,11-13,18H,7-10,14-15H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 366.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 172904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).