[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone

C20H20ClN3O3 — CID 166281577

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone
SMILESCn1ncc2c(O)cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc21
InChIInChI=1S/C20H20ClN3O3/c1-23-18-10-13(11-19(25)17(18)12-22-23)20(26)24-8-6-16(7-9-24)27-15-4-2-14(21)3-5-15/h2-5,10-12,16,25H,6-9H2,1H3
InChIKeyVSTRUCDZDTUYCA-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.62
Rot. Bonds3

About [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone (PubChem CID 166281577) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone
PubChem CID166281577
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone
SMILESCn1ncc2c(O)cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc21
InChIInChI=1S/C20H20ClN3O3/c1-23-18-10-13(11-19(25)17(18)12-22-23)20(26)24-8-6-16(7-9-24)27-15-4-2-14(21)3-5-15/h2-5,10-12,16,25H,6-9H2,1H3
InChIKeyVSTRUCDZDTUYCA-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-N,N-dimethylpyridine-3-carboxamide
CID 166281531
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 67168780
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 67169003
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
CID 166338943
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
[4-(4-chlorophenoxy)piperidin-1-yl]-cinnolin-4-ylmethanone
CID 67168153

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone (CID 166281577) is [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone is Cn1ncc2c(O)cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)cc21.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone?
The InChIKey is VSTRUCDZDTUYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-23-18-10-13(11-19(25)17(18)12-22-23)20(26)24-8-6-16(7-9-24)27-15-4-2-14(21)3-5-15/h2-5,10-12,16,25H,6-9H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone has a molecular weight of 385.85 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone is sourced from PubChem (CID 166281577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).