2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone

C19H26N2O2 — CID 97060187

IUPAC2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCC[C@@H]([C@H](C)O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O2/c1-3-20-13-16(17-8-4-5-9-18(17)20)11-19(23)21-10-6-7-15(12-21)14(2)22/h4-5,8-9,13-15,22H,3,6-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyZDSOGXNKIQFAIE-LSDHHAIUSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds4

About 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone

2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone (PubChem CID 97060187) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
PubChem CID97060187
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCC[C@@H]([C@H](C)O)C2)c2ccccc21
InChIInChI=1S/C19H26N2O2/c1-3-20-13-16(17-8-4-5-9-18(17)20)11-19(23)21-10-6-7-15(12-21)14(2)22/h4-5,8-9,13-15,22H,3,6-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyZDSOGXNKIQFAIE-LSDHHAIUSA-N
XLogP2.82
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
2-(1-ethylindol-3-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 86874234
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 91645395
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone (CID 97060187) is 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone is CCn1cc(CC(=O)N2CCC[C@@H]([C@H](C)O)C2)c2ccccc21.
What is the InChIKey of 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone?
The InChIKey is ZDSOGXNKIQFAIE-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-20-13-16(17-8-4-5-9-18(17)20)11-19(23)21-10-6-7-15(12-21)14(2)22/h4-5,8-9,13-15,22H,3,6-7,10-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone?
2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 97060187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).