2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile

C25H28N4O — CID 25165845

IUPAC2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
SMILESCOc1ccc2[nH]cc(C3CCC(N4CCN(c5ccccc5C#N)CC4)C3)c2c1
InChIInChI=1S/C25H28N4O/c1-30-21-8-9-24-22(15-21)23(17-27-24)18-6-7-20(14-18)28-10-12-29(13-11-28)25-5-3-2-4-19(25)16-26/h2-5,8-9,15,17-18,20,27H,6-7,10-14H2,1H3
InChIKeyACZKMBZEGOMPQO-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.51
Rot. Bonds4

About 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile

2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile (PubChem CID 25165845) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
PubChem CID25165845
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
SMILESCOc1ccc2[nH]cc(C3CCC(N4CCN(c5ccccc5C#N)CC4)C3)c2c1
InChIInChI=1S/C25H28N4O/c1-30-21-8-9-24-22(15-21)23(17-27-24)18-6-7-20(14-18)28-10-12-29(13-11-28)25-5-3-2-4-19(25)16-26/h2-5,8-9,15,17-18,20,27H,6-7,10-14H2,1H3
InChIKeyACZKMBZEGOMPQO-UHFFFAOYSA-N
XLogP4.51
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165455
5-methoxy-3-[3-(4-phenylpiperazin-1-yl)cyclopentyl]-1H-indole
CID 25166033
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
3-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-5-methoxy-1H-indole
CID 133298637
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
3-[1-[3-(4-cyclobutylpiperazin-1-yl)-4-methoxyphenyl]sulfonylpiperidin-4-yl]-5-methoxy-1H-indole
CID 163880260
4-(5-methoxy-1H-indol-3-yl)cyclohexane-1-carboxylic acid
CID 83788644
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-[4-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-1H-indole-5-carbonitrile
CID 10200109
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
CID 25165253
3-[4-[4-(6-methoxyquinolin-5-yl)piperazin-1-yl]cyclohexyl]-1H-indole-5-carbonitrile
CID 142006372
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile (CID 25165845) is 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile is COc1ccc2[nH]cc(C3CCC(N4CCN(c5ccccc5C#N)CC4)C3)c2c1.
What is the InChIKey of 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
The InChIKey is ACZKMBZEGOMPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-30-21-8-9-24-22(15-21)23(17-27-24)18-6-7-20(14-18)28-10-12-29(13-11-28)25-5-3-2-4-19(25)16-26/h2-5,8-9,15,17-18,20,27H,6-7,10-14H2,1H3.
What are the key properties of 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile?
2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile has a molecular weight of 400.53 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 25165845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).