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

C18H24N2O3 — CID 91907787

IUPAC[4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N2O3/c1-2-22-11-12-23-15-7-9-20(10-8-15)18(21)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,2,7-12H2,1H3
InChIKeyMKKDTKUXSCEQED-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.83
Rot. Bonds6

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

[4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 91907787) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID91907787
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCCOCCOC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H24N2O3/c1-2-22-11-12-23-15-7-9-20(10-8-15)18(21)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,2,7-12H2,1H3
InChIKeyMKKDTKUXSCEQED-UHFFFAOYSA-N
XLogP2.83
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 91907787) is [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone is CCOCCOC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is MKKDTKUXSCEQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-22-11-12-23-15-7-9-20(10-8-15)18(21)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,2,7-12H2,1H3.
What are the key properties of [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxy)piperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 91907787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).