(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

C16H22N4 — CID 51675076

IUPAC(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCN1CCN([C@@H](C#N)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C16H22N4/c1-18-7-9-20(10-8-18)16(12-17)13-3-4-15-14(11-13)5-6-19(15)2/h3-4,11,16H,5-10H2,1-2H3/t16-/m0/s1
InChIKeyPPVOXEBKRIPQAM-INIZCTEOSA-N
MW270.38 g/mol
LogP1.49
Rot. Bonds2

About (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile

(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (PubChem CID 51675076) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
PubChem CID51675076
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile
SMILESCN1CCN([C@@H](C#N)c2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C16H22N4/c1-18-7-9-20(10-8-18)16(12-17)13-3-4-15-14(11-13)5-6-19(15)2/h3-4,11,16H,5-10H2,1-2H3/t16-/m0/s1
InChIKeyPPVOXEBKRIPQAM-INIZCTEOSA-N
XLogP1.49
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132691
2-(3-bromo-4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 112540214
5-[cyano-(4-methylpiperazin-1-yl)methyl]-2-methoxybenzonitrile
CID 65420538
2-(3-hydroxy-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65419662
2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 79980097
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
3-hydroxy-2,2-dimethyl-3-(1-methyl-2,3-dihydroindol-5-yl)propanenitrile
CID 79132572
2-(4-methylpiperazin-1-yl)-2-quinolin-6-ylacetonitrile
CID 65420095
methyl 4-[cyano-(4-methylpiperazin-1-yl)methyl]benzoate
CID 65421416
2-(3-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 79980179
N-ethyl-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576915
2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62097595

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The IUPAC name of (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile (CID 51675076) is (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The canonical SMILES for (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is CN1CCN([C@@H](C#N)c2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
The InChIKey is PPVOXEBKRIPQAM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N4/c1-18-7-9-20(10-8-18)16(12-17)13-3-4-15-14(11-13)5-6-19(15)2/h3-4,11,16H,5-10H2,1-2H3/t16-/m0/s1.
What are the key properties of (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile?
(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile has a molecular weight of 270.38 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 51675076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).