1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile

C23H25N3O — CID 21201418

IUPAC1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
SMILESCOc1ccc(CCN2CCC(Cn3ccc4ccc(C#N)cc43)C2)cc1
InChIInChI=1S/C23H25N3O/c1-27-22-6-3-18(4-7-22)8-11-25-12-9-20(16-25)17-26-13-10-21-5-2-19(15-24)14-23(21)26/h2-7,10,13-14,20H,8-9,11-12,16-17H2,1H3
InChIKeyZOOBCUVXCIVVLA-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.09
Rot. Bonds6

About 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile

1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile (PubChem CID 21201418) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile.

Molecular Properties

Compound Name1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
PubChem CID21201418
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile
SMILESCOc1ccc(CCN2CCC(Cn3ccc4ccc(C#N)cc43)C2)cc1
InChIInChI=1S/C23H25N3O/c1-27-22-6-3-18(4-7-22)8-11-25-12-9-20(16-25)17-26-13-10-21-5-2-19(15-24)14-23(21)26/h2-7,10,13-14,20H,8-9,11-12,16-17H2,1H3
InChIKeyZOOBCUVXCIVVLA-UHFFFAOYSA-N
XLogP4.09
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-naphthalen-1-ylethyl)pyrrolidin-3-yl]methyl]indole-6-carbonitrile
CID 21201388
1-[(1-benzylpyrrolidin-3-yl)methyl]indole-5-carbonitrile
CID 21201434
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
1-[2-(6-methoxyindol-1-yl)ethyl]piperidin-4-amine
CID 141163156
6-bromo-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]indole
CID 139805683
6-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 14306748
(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 95345552
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068
6-methoxy-1-(oxan-4-ylmethyl)indole
CID 171704295

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The IUPAC name of 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile (CID 21201418) is 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile.
What is the SMILES notation for 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The canonical SMILES for 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile is COc1ccc(CCN2CCC(Cn3ccc4ccc(C#N)cc43)C2)cc1.
What is the InChIKey of 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
The InChIKey is ZOOBCUVXCIVVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-22-6-3-18(4-7-22)8-11-25-12-9-20(16-25)17-26-13-10-21-5-2-19(15-24)14-23(21)26/h2-7,10,13-14,20H,8-9,11-12,16-17H2,1H3.
What are the key properties of 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile?
1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile has a molecular weight of 359.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]methyl]indole-6-carbonitrile is sourced from PubChem (CID 21201418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).