[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H24N2O4 — CID 113088321

IUPAC[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24-9-8-15(13-24)18-10-14-6-4-5-7-17(14)23-18/h4-7,10-12,15,23H,8-9,13H2,1-3H3
InChIKeyDHCLIONBQDWNDA-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.82
Rot. Bonds5

About [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 113088321) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID113088321
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24-9-8-15(13-24)18-10-14-6-4-5-7-17(14)23-18/h4-7,10-12,15,23H,8-9,13H2,1-3H3
InChIKeyDHCLIONBQDWNDA-UHFFFAOYSA-N
XLogP3.82
TPSA63.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 113088338
1-[4-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 71883526
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 113088297
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 113088321) is [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(c3cc4ccccc4[nH]3)C2)cc(OC)c1OC.
What is the InChIKey of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is DHCLIONBQDWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-26-19-11-16(12-20(27-2)21(19)28-3)22(25)24-9-8-15(13-24)18-10-14-6-4-5-7-17(14)23-18/h4-7,10-12,15,23H,8-9,13H2,1-3H3.
What are the key properties of [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 380.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-2-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 113088321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).