2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile

C20H20N4 — CID 10567430

IUPAC2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H20N4/c21-14-16-6-7-17-13-18(22-20(17)12-16)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2
InChIKeyMAVGNSNQMXBEHU-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.36
Rot. Bonds3

About 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile

2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile (PubChem CID 10567430) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile
PubChem CID10567430
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C20H20N4/c21-14-16-6-7-17-13-18(22-20(17)12-16)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2
InChIKeyMAVGNSNQMXBEHU-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 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile?
The IUPAC name of 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile (CID 10567430) is 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile?
The canonical SMILES for 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile is N#Cc1ccc2cc(CN3CCN(c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile?
The InChIKey is MAVGNSNQMXBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-14-16-6-7-17-13-18(22-20(17)12-16)15-23-8-10-24(11-9-23)19-4-2-1-3-5-19/h1-7,12-13,22H,8-11,15H2.
What are the key properties of 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile?
2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-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 2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 10567430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).