3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile

C26H28N4O — CID 24986519

IUPAC3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1
InChIInChI=1S/C26H28N4O/c27-18-20-4-3-5-21(16-20)19-30-11-10-22-17-23(8-9-25(22)30)26(31)29-14-12-28(13-15-29)24-6-1-2-7-24/h3-5,8-11,16-17,24H,1-2,6-7,12-15,19H2
InChIKeyAEAJQLZVWNEKAA-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.26
Rot. Bonds4

About 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile

3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile (PubChem CID 24986519) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
PubChem CID24986519
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1
InChIInChI=1S/C26H28N4O/c27-18-20-4-3-5-21(16-20)19-30-11-10-22-17-23(8-9-25(22)30)26(31)29-14-12-28(13-15-29)24-6-1-2-7-24/h3-5,8-11,16-17,24H,1-2,6-7,12-15,19H2
InChIKeyAEAJQLZVWNEKAA-UHFFFAOYSA-N
XLogP4.26
TPSA52.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-cyclobutylpiperazine-1-carbonyl)-2-(1,1-dihydroxy-1,4-thiazinane-4-carbonyl)indol-1-yl]benzonitrile
CID 174565325
(4-cyclopentylpiperazin-1-yl)-[1-[3-(2-methylpiperidin-1-yl)propyl]indol-5-yl]methanone
CID 68624872
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
(4-cyclobutylpiperazin-1-yl)-[1-(2-phenyl-1-piperidin-3-ylethyl)indol-5-yl]methanone
CID 68622991
3-[[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 47536123
4-[5-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]indol-1-yl]benzonitrile
CID 66840110
1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 44549519
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
3-[(4-cyclobutyl-2-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 134204297
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile (CID 24986519) is 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2ccc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1.
What is the InChIKey of 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile?
The InChIKey is AEAJQLZVWNEKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c27-18-20-4-3-5-21(16-20)19-30-11-10-22-17-23(8-9-25(22)30)26(31)29-14-12-28(13-15-29)24-6-1-2-7-24/h3-5,8-11,16-17,24H,1-2,6-7,12-15,19H2.
What are the key properties of 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile?
3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile has a molecular weight of 412.54 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-cyclopentylpiperazine-1-carbonyl)indol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 24986519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).