3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid

C18H24N2O2 — CID 174406031

IUPAC3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
SMILESCCN1CCC(n2ccc3ccc(CCC(=O)O)cc32)CC1
InChIInChI=1S/C18H24N2O2/c1-2-19-10-8-16(9-11-19)20-12-7-15-5-3-14(13-17(15)20)4-6-18(21)22/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3,(H,21,22)
InChIKeyKGKBZVBLGXPRKD-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.32
Rot. Bonds5

About 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid

3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid (PubChem CID 174406031) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
PubChem CID174406031
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
SMILESCCN1CCC(n2ccc3ccc(CCC(=O)O)cc32)CC1
InChIInChI=1S/C18H24N2O2/c1-2-19-10-8-16(9-11-19)20-12-7-15-5-3-14(13-17(15)20)4-6-18(21)22/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3,(H,21,22)
InChIKeyKGKBZVBLGXPRKD-UHFFFAOYSA-N
XLogP3.32
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclohexylindol-6-yl)propanoic acid
CID 117118637
3-(1-cyclopropylindol-5-yl)propanoic acid
CID 155919864
1-[1-(1-ethylpiperidin-4-yl)indol-6-yl]ethanol
CID 174405301
ethyl 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]prop-2-enoate
CID 174420419
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 90845273
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
CID 115115521
N,N-diethyl-2-[1-(oxan-4-yl)indol-6-yl]ethanamine
CID 22732059
2-(1-cyclobutylindol-6-yl)ethanamine
CID 115115243
3-[1-(2-methylpropyl)indol-6-yl]propanoic acid
CID 115106738
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
N-cyano-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide
CID 87903495

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid?
The IUPAC name of 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid (CID 174406031) is 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid is CCN1CCC(n2ccc3ccc(CCC(=O)O)cc32)CC1.
What is the InChIKey of 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid?
The InChIKey is KGKBZVBLGXPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-19-10-8-16(9-11-19)20-12-7-15-5-3-14(13-17(15)20)4-6-18(21)22/h3,5,7,12-13,16H,2,4,6,8-11H2,1H3,(H,21,22).
What are the key properties of 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid?
3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid has a molecular weight of 300.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid is sourced from PubChem (CID 174406031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).