6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole

C25H33ClN4 — CID 141418275

IUPAC6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole
SMILESCN1CCC(CN2CCc3ccc(-c4cc(N5CCCCC5)ncc4Cl)cc32)CC1
InChIInChI=1S/C25H33ClN4/c1-28-12-7-19(8-13-28)18-30-14-9-20-5-6-21(15-24(20)30)22-16-25(27-17-23(22)26)29-10-3-2-4-11-29/h5-6,15-17,19H,2-4,7-14,18H2,1H3
InChIKeyJMNBMZSLVVEMMB-UHFFFAOYSA-N
MW425.02 g/mol
LogP5.10
Rot. Bonds4

About 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole

6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole (PubChem CID 141418275) has the molecular formula C25H33ClN4 and a molecular weight of 425.02 g/mol. Its IUPAC name is 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole
PubChem CID141418275
Molecular FormulaC25H33ClN4
Molecular Weight425.02 g/mol
Exact Mass424.24
IUPAC Name6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole
SMILESCN1CCC(CN2CCc3ccc(-c4cc(N5CCCCC5)ncc4Cl)cc32)CC1
InChIInChI=1S/C25H33ClN4/c1-28-12-7-19(8-13-28)18-30-14-9-20-5-6-21(15-24(20)30)22-16-25(27-17-23(22)26)29-10-3-2-4-11-29/h5-6,15-17,19H,2-4,7-14,18H2,1H3
InChIKeyJMNBMZSLVVEMMB-UHFFFAOYSA-N
XLogP5.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.02
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole (CID 141418275) is 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole is CN1CCC(CN2CCc3ccc(-c4cc(N5CCCCC5)ncc4Cl)cc32)CC1.
What is the InChIKey of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The InChIKey is JMNBMZSLVVEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4/c1-28-12-7-19(8-13-28)18-30-14-9-20-5-6-21(15-24(20)30)22-16-25(27-17-23(22)26)29-10-3-2-4-11-29/h5-6,15-17,19H,2-4,7-14,18H2,1H3.
What are the key properties of 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole?
6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole has a molecular weight of 425.02 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-piperidin-1-yl-4-pyridinyl)-1-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 141418275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).