1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone

C19H26N2O — CID 71319091

IUPAC1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone
SMILESCCc1[nH]c2ccccc2c1CCN1CCCC(C(C)=O)C1
InChIInChI=1S/C19H26N2O/c1-3-18-17(16-8-4-5-9-19(16)20-18)10-12-21-11-6-7-15(13-21)14(2)22/h4-5,8-9,15,20H,3,6-7,10-13H2,1-2H3
InChIKeySTVWAYDBYXANBI-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.57
Rot. Bonds5

About 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone

1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone (PubChem CID 71319091) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone
PubChem CID71319091
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone
SMILESCCc1[nH]c2ccccc2c1CCN1CCCC(C(C)=O)C1
InChIInChI=1S/C19H26N2O/c1-3-18-17(16-8-4-5-9-19(16)20-18)10-12-21-11-6-7-15(13-21)14(2)22/h4-5,8-9,15,20H,3,6-7,10-13H2,1-2H3
InChIKeySTVWAYDBYXANBI-UHFFFAOYSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
2,3-diethyl-1H-indole;hydrate
CID 70606554
1-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-3-yl]ethanone;hydrochloride
CID 159118932
2-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]-1H-indole
CID 59921038
1-[1-(2-methoxyethyl)piperidin-3-yl]ethanone
CID 63845115
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
2-[4-(1H-indol-2-yl)butyl]-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 67798369
3-(azepan-1-ylmethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 86888651
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
1-[(2-methyl-1H-indol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 65066079

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone (CID 71319091) is 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone is CCc1[nH]c2ccccc2c1CCN1CCCC(C(C)=O)C1.
What is the InChIKey of 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone?
The InChIKey is STVWAYDBYXANBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-18-17(16-8-4-5-9-19(16)20-18)10-12-21-11-6-7-15(13-21)14(2)22/h4-5,8-9,15,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone?
1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone has a molecular weight of 298.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-ethyl-1H-indol-3-yl)ethyl]piperidin-3-yl]ethanone is sourced from PubChem (CID 71319091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).