1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile

C16H20N4 — CID 58039084

IUPAC1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile
SMILESCCn1c(N2CCNCC2)c(C#N)c2ccc(C)cc21
InChIInChI=1S/C16H20N4/c1-3-20-15-10-12(2)4-5-13(15)14(11-17)16(20)19-8-6-18-7-9-19/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyCDGZDPZFQOTFRZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds2

About 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile

1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile (PubChem CID 58039084) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile
PubChem CID58039084
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile
SMILESCCn1c(N2CCNCC2)c(C#N)c2ccc(C)cc21
InChIInChI=1S/C16H20N4/c1-3-20-15-10-12(2)4-5-13(15)14(11-17)16(20)19-8-6-18-7-9-19/h4-5,10,18H,3,6-9H2,1-2H3
InChIKeyCDGZDPZFQOTFRZ-UHFFFAOYSA-N
XLogP2.25
TPSA43.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-2-piperazin-1-yl-6-(trifluoromethyl)indole-3-carbonitrile
CID 59426299
2-(bromomethyl)-1-ethyl-6-methylindole-3-carbonitrile;1-ethyl-2,6-dimethylindole-3-carbonitrile
CID 123428403
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-ethyl-6-methoxyindole-3-carbonitrile
CID 46944834
1-ethyl-6-methyl-2-(4-methylsulfonylphenyl)indole-3-carbonitrile
CID 58039094
6-chloro-1-[(4-methylphenyl)methyl]-2-oxo-4-piperazin-1-ylquinoline-3-carbonitrile
CID 71171374
1-ethyl-5-methyl-3-(piperazin-1-ylmethyl)indole
CID 117185174
9-ethyl-2-methylcarbazole
CID 19788789
2-chloro-1,6-dimethylindole-3-carbonitrile
CID 82269620
1-ethyl-5-methyl-3-(2-piperazin-1-ylethyl)indole
CID 83949052
ethyl N-[3-(3-cyano-1-ethyl-6-methylindol-2-yl)phenyl]carbamate
CID 58039098
6-(difluoromethoxy)-1-ethyl-2-(4-pyrrolidin-1-ylphenyl)indole-3-carbonitrile
CID 143184641
2-[4-(1,1-dioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indole-3-carbonitrile
CID 58724729

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile?
The IUPAC name of 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile (CID 58039084) is 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile is CCn1c(N2CCNCC2)c(C#N)c2ccc(C)cc21.
What is the InChIKey of 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile?
The InChIKey is CDGZDPZFQOTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-20-15-10-12(2)4-5-13(15)14(11-17)16(20)19-8-6-18-7-9-19/h4-5,10,18H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile?
1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-2-piperazin-1-ylindole-3-carbonitrile is sourced from PubChem (CID 58039084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).