3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile

C20H20N4 — CID 10663221

IUPAC3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20N4/c21-13-16-6-7-20-19(12-16)17(14-22-20)15-23-8-10-24(11-9-23)18-4-2-1-3-5-18/h1-7,12,14,22H,8-11,15H2
InChIKeyVHPASGHENHNLAW-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.36
Rot. Bonds3

About 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile

3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile (PubChem CID 10663221) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
PubChem CID10663221
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20N4/c21-13-16-6-7-20-19(12-16)17(14-22-20)15-23-8-10-24(11-9-23)18-4-2-1-3-5-18/h1-7,12,14,22H,8-11,15H2
InChIKeyVHPASGHENHNLAW-UHFFFAOYSA-N
XLogP3.36
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile (CID 10663221) is 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CN3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile?
The InChIKey is VHPASGHENHNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-13-16-6-7-20-19(12-16)17(14-22-20)15-23-8-10-24(11-9-23)18-4-2-1-3-5-18/h1-7,12,14,22H,8-11,15H2.
What are the key properties of 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile?
3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile has a molecular weight of 316.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10663221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).