1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C20H24N4O — CID 96572403

IUPAC1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-15-21-10-13-23(15)12-8-18-4-2-3-11-24(18)20(25)17-6-5-16-7-9-22-19(16)14-17/h5-7,9-10,13-14,18,22H,2-4,8,11-12H2,1H3/t18-/m1/s1
InChIKeyDURQZZCWEDYWBF-GOSISDBHSA-N
MW336.44 g/mol
LogP3.76
Rot. Bonds4

About 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 96572403) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID96572403
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C20H24N4O/c1-15-21-10-13-23(15)12-8-18-4-2-3-11-24(18)20(25)17-6-5-16-7-9-22-19(16)14-17/h5-7,9-10,13-14,18,22H,2-4,8,11-12H2,1H3/t18-/m1/s1
InChIKeyDURQZZCWEDYWBF-GOSISDBHSA-N
XLogP3.76
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574820
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95602971
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 95302509
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-indol-6-yl)methanone
CID 95606027
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080

Frequently Asked Questions

What is the IUPAC name of 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 96572403) is 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is Cc1nccn1CC[C@H]1CCCCN1C(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is DURQZZCWEDYWBF-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-21-10-13-23(15)12-8-18-4-2-3-11-24(18)20(25)17-6-5-16-7-9-22-19(16)14-17/h5-7,9-10,13-14,18,22H,2-4,8,11-12H2,1H3/t18-/m1/s1.
What are the key properties of 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 96572403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).