[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone

C24H28ClN3O2 — CID 70639731

IUPAC[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone
SMILESNCCN1CC(C(=O)N2CCC(c3cccc4c3OCC4)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H28ClN3O2/c25-18-4-5-20-21(15-28(12-9-26)22(20)14-18)24(29)27-10-6-16(7-11-27)19-3-1-2-17-8-13-30-23(17)19/h1-5,14,16,21H,6-13,15,26H2
InChIKeyOLXDMFHPCQVMGJ-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.54
Rot. Bonds4

About [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone

[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone (PubChem CID 70639731) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone
PubChem CID70639731
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone
SMILESNCCN1CC(C(=O)N2CCC(c3cccc4c3OCC4)CC2)c2ccc(Cl)cc21
InChIInChI=1S/C24H28ClN3O2/c25-18-4-5-20-21(15-28(12-9-26)22(20)14-18)24(29)27-10-6-16(7-11-27)19-3-1-2-17-8-13-30-23(17)19/h1-5,14,16,21H,6-13,15,26H2
InChIKeyOLXDMFHPCQVMGJ-UHFFFAOYSA-N
XLogP3.54
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone (CID 70639731) is [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone is NCCN1CC(C(=O)N2CCC(c3cccc4c3OCC4)CC2)c2ccc(Cl)cc21.
What is the InChIKey of [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone?
The InChIKey is OLXDMFHPCQVMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-18-4-5-20-21(15-28(12-9-26)22(20)14-18)24(29)27-10-6-16(7-11-27)19-3-1-2-17-8-13-30-23(17)19/h1-5,14,16,21H,6-13,15,26H2.
What are the key properties of [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone?
[1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone has a molecular weight of 425.96 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)-6-chloro-2,3-dihydroindol-3-yl]-[4-(2,3-dihydro-1-benzofuran-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 70639731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).