1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole

C20H22ClN3O — CID 67698618

IUPAC1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole
SMILESCN1CCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H22ClN3O/c1-23-12-10-17(11-13-23)25-20-18-4-2-3-5-19(18)24(22-20)14-15-6-8-16(21)9-7-15/h2-9,17H,10-14H2,1H3
InChIKeyCFADNRCLEMIHPF-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.21
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole

1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole (PubChem CID 67698618) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole
PubChem CID67698618
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole
SMILESCN1CCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C20H22ClN3O/c1-23-12-10-17(11-13-23)25-20-18-4-2-3-5-19(18)24(22-20)14-15-6-8-16(21)9-7-15/h2-9,17H,10-14H2,1H3
InChIKeyCFADNRCLEMIHPF-UHFFFAOYSA-N
XLogP4.21
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole (CID 67698618) is 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole is CN1CCC(Oc2nn(Cc3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole?
The InChIKey is CFADNRCLEMIHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-23-12-10-17(11-13-23)25-20-18-4-2-3-5-19(18)24(22-20)14-15-6-8-16(21)9-7-15/h2-9,17H,10-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole?
1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole has a molecular weight of 355.87 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)oxyindazole is sourced from PubChem (CID 67698618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).