1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid

C17H22N2O2 — CID 54164902

IUPAC1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
SMILESCCN1CCC(Cn2cc(C(=O)O)c3ccccc32)CC1
InChIInChI=1S/C17H22N2O2/c1-2-18-9-7-13(8-10-18)11-19-12-15(17(20)21)14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21)
InChIKeyOQYNCWDCACIEIO-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid

1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid (PubChem CID 54164902) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
PubChem CID54164902
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
SMILESCCN1CCC(Cn2cc(C(=O)O)c3ccccc32)CC1
InChIInChI=1S/C17H22N2O2/c1-2-18-9-7-13(8-10-18)11-19-12-15(17(20)21)14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21)
InChIKeyOQYNCWDCACIEIO-UHFFFAOYSA-N
XLogP3.07
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
CID 79175356
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 155688328
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-[2-[ethyl(methyl)amino]-2-oxoethyl]indole-3-carboxylic acid
CID 43309799
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
6-bromo-1-[1-(cyclohexylmethyl)indol-3-yl]hexan-1-one
CID 54439030

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid?
The IUPAC name of 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid (CID 54164902) is 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid is CCN1CCC(Cn2cc(C(=O)O)c3ccccc32)CC1.
What is the InChIKey of 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid?
The InChIKey is OQYNCWDCACIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-18-9-7-13(8-10-18)11-19-12-15(17(20)21)14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21).
What are the key properties of 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid?
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid is sourced from PubChem (CID 54164902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).