4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide

C24H26N4O2 — CID 10150811

IUPAC4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide
SMILESN#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(C(N)=O)cc4)CC3)ccc12
InChIInChI=1S/C24H26N4O2/c25-15-19-16-27-23-14-17(3-8-22(19)23)2-1-11-28-12-9-21(10-13-28)30-20-6-4-18(5-7-20)24(26)29/h3-8,14,16,21,27H,1-2,9-13H2,(H2,26,29)
InChIKeyGEFZYOPEZYLNCJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.61
Rot. Bonds7

About 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide

4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide (PubChem CID 10150811) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide
PubChem CID10150811
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide
SMILESN#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(C(N)=O)cc4)CC3)ccc12
InChIInChI=1S/C24H26N4O2/c25-15-19-16-27-23-14-17(3-8-22(19)23)2-1-11-28-12-9-21(10-13-28)30-20-6-4-18(5-7-20)24(26)29/h3-8,14,16,21,27H,1-2,9-13H2,(H2,26,29)
InChIKeyGEFZYOPEZYLNCJ-UHFFFAOYSA-N
XLogP3.61
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide?
The IUPAC name of 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide (CID 10150811) is 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide?
The canonical SMILES for 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide is N#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(C(N)=O)cc4)CC3)ccc12.
What is the InChIKey of 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide?
The InChIKey is GEFZYOPEZYLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-15-19-16-27-23-14-17(3-8-22(19)23)2-1-11-28-12-9-21(10-13-28)30-20-6-4-18(5-7-20)24(26)29/h3-8,14,16,21,27H,1-2,9-13H2,(H2,26,29).
What are the key properties of 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide?
4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide has a molecular weight of 402.50 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(3-cyano-1H-indol-6-yl)propyl]piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 10150811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).