3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

C24H27N3O — CID 20523262

IUPAC3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCn1cc(CCCN2CCC(c3noc4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-26-17-19(20-8-2-4-10-22(20)26)7-6-14-27-15-12-18(13-16-27)24-21-9-3-5-11-23(21)28-25-24/h2-5,8-11,17-18H,6-7,12-16H2,1H3
InChIKeyACEFKNUUHWQJHG-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.13
Rot. Bonds5

About 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole

3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (PubChem CID 20523262) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
PubChem CID20523262
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
SMILESCn1cc(CCCN2CCC(c3noc4ccccc34)CC2)c2ccccc21
InChIInChI=1S/C24H27N3O/c1-26-17-19(20-8-2-4-10-22(20)26)7-6-14-27-15-12-18(13-16-27)24-21-9-3-5-11-23(21)28-25-24/h2-5,8-11,17-18H,6-7,12-16H2,1H3
InChIKeyACEFKNUUHWQJHG-UHFFFAOYSA-N
XLogP5.13
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The IUPAC name of 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole (CID 20523262) is 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole.
What is the SMILES notation for 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The canonical SMILES for 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is Cn1cc(CCCN2CCC(c3noc4ccccc34)CC2)c2ccccc21.
What is the InChIKey of 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
The InChIKey is ACEFKNUUHWQJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-26-17-19(20-8-2-4-10-22(20)26)7-6-14-27-15-12-18(13-16-27)24-21-9-3-5-11-23(21)28-25-24/h2-5,8-11,17-18H,6-7,12-16H2,1H3.
What are the key properties of 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole?
3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole has a molecular weight of 373.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(1-methylindol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole is sourced from PubChem (CID 20523262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).