1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C17H22N2O2 — CID 59529913

IUPAC1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N2O2/c1-21-11-8-13-6-9-19(10-7-13)17(20)16-12-14-4-2-3-5-15(14)18-16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyWJJHDYWTLIPZJR-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.06
Rot. Bonds4

About 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 59529913) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID59529913
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N2O2/c1-21-11-8-13-6-9-19(10-7-13)17(20)16-12-14-4-2-3-5-15(14)18-16/h2-5,12-13,18H,6-11H2,1H3
InChIKeyWJJHDYWTLIPZJR-UHFFFAOYSA-N
XLogP3.06
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 59529913) is 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is WJJHDYWTLIPZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-21-11-8-13-6-9-19(10-7-13)17(20)16-12-14-4-2-3-5-15(14)18-16/h2-5,12-13,18H,6-11H2,1H3.
What are the key properties of 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 59529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).