2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole

C19H23N3 — CID 122668604

IUPAC2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole
SMILESCC(c1ccc[nH]1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H23N3/c1-14(16-9-6-11-20-16)22-12-5-4-10-19(22)18-13-15-7-2-3-8-17(15)21-18/h2-3,6-9,11,13-14,19-21H,4-5,10,12H2,1H3
InChIKeyBVNHTWBCNNRNDK-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.78
Rot. Bonds3

About 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole

2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole (PubChem CID 122668604) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole
PubChem CID122668604
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole
SMILESCC(c1ccc[nH]1)N1CCCCC1c1cc2ccccc2[nH]1
InChIInChI=1S/C19H23N3/c1-14(16-9-6-11-20-16)22-12-5-4-10-19(22)18-13-15-7-2-3-8-17(15)21-18/h2-3,6-9,11,13-14,19-21H,4-5,10,12H2,1H3
InChIKeyBVNHTWBCNNRNDK-UHFFFAOYSA-N
XLogP4.78
TPSA34.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 97175615
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
2-cyclohexyl-1H-indole
CID 607977
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 146096191
(3-aminocyclopentyl)-[2-(1H-indol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 119776626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole?
The IUPAC name of 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole (CID 122668604) is 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole.
What is the SMILES notation for 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole?
The canonical SMILES for 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole is CC(c1ccc[nH]1)N1CCCCC1c1cc2ccccc2[nH]1.
What is the InChIKey of 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole?
The InChIKey is BVNHTWBCNNRNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-14(16-9-6-11-20-16)22-12-5-4-10-19(22)18-13-15-7-2-3-8-17(15)21-18/h2-3,6-9,11,13-14,19-21H,4-5,10,12H2,1H3.
What are the key properties of 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole?
2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole has a molecular weight of 293.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1H-pyrrol-2-yl)ethyl]piperidin-2-yl]-1H-indole is sourced from PubChem (CID 122668604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).