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

C20H19ClN4 — CID 10641637

IUPAC3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H19ClN4/c21-17-2-4-18(5-3-17)25-9-7-24(8-10-25)14-16-13-23-20-6-1-15(12-22)11-19(16)20/h1-6,11,13,23H,7-10,14H2
InChIKeyHYLGECOKUPPDRN-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.02
Rot. Bonds3

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

3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile (PubChem CID 10641637) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
PubChem CID10641637
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1
InChIInChI=1S/C20H19ClN4/c21-17-2-4-18(5-3-17)25-9-7-24(8-10-25)14-16-13-23-20-6-1-15(12-22)11-19(16)20/h1-6,11,13,23H,7-10,14H2
InChIKeyHYLGECOKUPPDRN-UHFFFAOYSA-N
XLogP4.02
TPSA46.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile (CID 10641637) is 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(CN3CCN(c4ccc(Cl)cc4)CC3)c2c1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is HYLGECOKUPPDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-17-2-4-18(5-3-17)25-9-7-24(8-10-25)14-16-13-23-20-6-1-15(12-22)11-19(16)20/h1-6,11,13,23H,7-10,14H2.
What are the key properties of 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile?
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 350.85 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10641637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).