N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

C22H25N3O2 — CID 58512063

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)OCCO5)ccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-25-8-6-15(7-9-25)19-14-23-20-12-16(2-4-18(19)20)24-17-3-5-21-22(13-17)27-11-10-26-21/h2-5,12-15,23-24H,6-11H2,1H3
InChIKeyOXCRPMNJJDNCAM-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.49
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (PubChem CID 58512063) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
PubChem CID58512063
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)OCCO5)ccc23)CC1
InChIInChI=1S/C22H25N3O2/c1-25-8-6-15(7-9-25)19-14-23-20-12-16(2-4-18(19)20)24-17-3-5-21-22(13-17)27-11-10-26-21/h2-5,12-15,23-24H,6-11H2,1H3
InChIKeyOXCRPMNJJDNCAM-UHFFFAOYSA-N
XLogP4.49
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (CID 58512063) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is CN1CCC(c2c[nH]c3cc(Nc4ccc5c(c4)OCCO5)ccc23)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The InChIKey is OXCRPMNJJDNCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25-8-6-15(7-9-25)19-14-23-20-12-16(2-4-18(19)20)24-17-3-5-21-22(13-17)27-11-10-26-21/h2-5,12-15,23-24H,6-11H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine has a molecular weight of 363.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is sourced from PubChem (CID 58512063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).