morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone

C21H29N3O3 — CID 11603156

IUPACmorpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-21(24-10-13-26-14-11-24)20-16-17-15-18(5-6-19(17)22-20)27-12-4-9-23-7-2-1-3-8-23/h5-6,15-16,22H,1-4,7-14H2
InChIKeyRXIURVGGLQTWNU-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.90
Rot. Bonds6

About morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone

morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone (PubChem CID 11603156) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone
PubChem CID11603156
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Namemorpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone
SMILESO=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1
InChIInChI=1S/C21H29N3O3/c25-21(24-10-13-26-14-11-24)20-16-17-15-18(5-6-19(17)22-20)27-12-4-9-23-7-2-1-3-8-23/h5-6,15-16,22H,1-4,7-14H2
InChIKeyRXIURVGGLQTWNU-UHFFFAOYSA-N
XLogP2.90
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone (CID 11603156) is morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone is O=C(c1cc2cc(OCCCN3CCCCC3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone?
The InChIKey is RXIURVGGLQTWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-21(24-10-13-26-14-11-24)20-16-17-15-18(5-6-19(17)22-20)27-12-4-9-23-7-2-1-3-8-23/h5-6,15-16,22H,1-4,7-14H2.
What are the key properties of morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone?
morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 11603156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).