(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile

C20H24N4 — CID 94393048

IUPAC(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
SMILESCc1[nH]c2ccccc2c1C1CCN(C[C@H](C#N)CCC#N)CC1
InChIInChI=1S/C20H24N4/c1-15-20(18-6-2-3-7-19(18)23-15)17-8-11-24(12-9-17)14-16(13-22)5-4-10-21/h2-3,6-7,16-17,23H,4-5,8-9,11-12,14H2,1H3/t16-/m0/s1
InChIKeyJHAYMKZIEYXLID-INIZCTEOSA-N
MW320.44 g/mol
LogP4.10
Rot. Bonds5

About (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile

(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile (PubChem CID 94393048) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile.

Molecular Properties

Compound Name(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
PubChem CID94393048
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC Name(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile
SMILESCc1[nH]c2ccccc2c1C1CCN(C[C@H](C#N)CCC#N)CC1
InChIInChI=1S/C20H24N4/c1-15-20(18-6-2-3-7-19(18)23-15)17-8-11-24(12-9-17)14-16(13-22)5-4-10-21/h2-3,6-7,16-17,23H,4-5,8-9,11-12,14H2,1H3/t16-/m0/s1
InChIKeyJHAYMKZIEYXLID-INIZCTEOSA-N
XLogP4.10
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
(2R)-2-[[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pentanedinitrile
CID 97011968
N-(4-cyanophenyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 112843042
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292
N-[1-[(2R)-2,4-dicyanobutyl]piperidin-4-yl]benzenesulfonamide
CID 94615297
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
N-(3-methoxypropyl)-2-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]acetamide
CID 60506168
3-(azepan-4-yl)-2-methyl-1H-indole
CID 82288280
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-indole
CID 113087361

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile?
The IUPAC name of (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile (CID 94393048) is (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile.
What is the SMILES notation for (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile?
The canonical SMILES for (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile is Cc1[nH]c2ccccc2c1C1CCN(C[C@H](C#N)CCC#N)CC1.
What is the InChIKey of (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile?
The InChIKey is JHAYMKZIEYXLID-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-20(18-6-2-3-7-19(18)23-15)17-8-11-24(12-9-17)14-16(13-22)5-4-10-21/h2-3,6-7,16-17,23H,4-5,8-9,11-12,14H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile?
(2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile has a molecular weight of 320.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methyl]pentanedinitrile is sourced from PubChem (CID 94393048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).