1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid

C18H22N2O3 — CID 119166514

IUPAC1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCCn1cc(CC(=O)N2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-17(21)20-9-7-13(8-10-20)18(22)23/h3-6,12-13H,2,7-11H2,1H3,(H,22,23)
InChIKeyJNIFXHIAMXEECS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 119166514) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID119166514
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
SMILESCCn1cc(CC(=O)N2CCC(C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-17(21)20-9-7-13(8-10-20)18(22)23/h3-6,12-13H,2,7-11H2,1H3,(H,22,23)
InChIKeyJNIFXHIAMXEECS-UHFFFAOYSA-N
XLogP2.53
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
CID 41108899
2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 97060187
2-(1-ethylindol-3-yl)-1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 86874234
2-[cyclopropyl-[2-(1-ethylindol-3-yl)acetyl]amino]acetic acid
CID 119195131
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 136582585
methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
CID 41108918
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110799894
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138036434
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid (CID 119166514) is 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid is CCn1cc(CC(=O)N2CCC(C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is JNIFXHIAMXEECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-19-12-14(15-5-3-4-6-16(15)19)11-17(21)20-9-7-13(8-10-20)18(22)23/h3-6,12-13H,2,7-11H2,1H3,(H,22,23).
What are the key properties of 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 314.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).