1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile

C17H21N3 — CID 1088159

IUPAC1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile
SMILESC[C@@H]1CCCCN1Cc1c(C#N)c2ccccc2n1C
InChIInChI=1S/C17H21N3/c1-13-7-5-6-10-20(13)12-17-15(11-18)14-8-3-4-9-16(14)19(17)2/h3-4,8-9,13H,5-7,10,12H2,1-2H3/t13-/m1/s1
InChIKeyKXZXVMGRGJASPU-CYBMUJFWSA-N
MW267.38 g/mol
LogP3.42
Rot. Bonds2

About 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile

1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile (PubChem CID 1088159) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile
PubChem CID1088159
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile
SMILESC[C@@H]1CCCCN1Cc1c(C#N)c2ccccc2n1C
InChIInChI=1S/C17H21N3/c1-13-7-5-6-10-20(13)12-17-15(11-18)14-8-3-4-9-16(14)19(17)2/h3-4,8-9,13H,5-7,10,12H2,1-2H3/t13-/m1/s1
InChIKeyKXZXVMGRGJASPU-CYBMUJFWSA-N
XLogP3.42
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyano-1-methylindol-2-yl)methyl]-N-phenyl-2-pyrrolidin-1-ylacetamide
CID 1124497
1-carbazol-9-yl-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 754137
1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile
CID 22689226
2-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135679
1-methyl-2-[(2-methylanilino)methyl]indole-3-carbonitrile
CID 748399
2-[(2-hydroxyanilino)methyl]-1-methylindole-3-carbonitrile
CID 739892
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
3-[2-[(2-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]propan-1-ol
CID 82311802
2-[(3S)-3-aminopyrrolidin-1-yl]-1-methylindole-3-carbonitrile
CID 67060658
2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
(2S)-1-[(2,6-difluorophenyl)methyl]-2-methylpiperidine
CID 870764
4-[2-[(2-methylpiperidin-1-yl)methyl]phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168587912

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile?
The IUPAC name of 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile (CID 1088159) is 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile.
What is the SMILES notation for 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile?
The canonical SMILES for 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile is C[C@@H]1CCCCN1Cc1c(C#N)c2ccccc2n1C.
What is the InChIKey of 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile?
The InChIKey is KXZXVMGRGJASPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3/c1-13-7-5-6-10-20(13)12-17-15(11-18)14-8-3-4-9-16(14)19(17)2/h3-4,8-9,13H,5-7,10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile?
1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-3-carbonitrile is sourced from PubChem (CID 1088159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).