[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone

C23H24ClN3O3 — CID 166338943

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1-c1ccnn1C
InChIInChI=1S/C23H24ClN3O3/c1-26-21(9-12-25-26)20-15-16(3-8-22(20)29-2)23(28)27-13-10-19(11-14-27)30-18-6-4-17(24)5-7-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyLYWVNIZXQVMMDR-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.43
Rot. Bonds5

About [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone (PubChem CID 166338943) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
PubChem CID166338943
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1-c1ccnn1C
InChIInChI=1S/C23H24ClN3O3/c1-26-21(9-12-25-26)20-15-16(3-8-22(20)29-2)23(28)27-13-10-19(11-14-27)30-18-6-4-17(24)5-7-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3
InChIKeyLYWVNIZXQVMMDR-UHFFFAOYSA-N
XLogP4.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
2-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenoxy]acetamide
CID 67168923
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxy-1-methylindazol-6-yl)methanone
CID 166281577
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
N-[5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-2-methylphenyl]acetamide
CID 166281479
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
CID 166338888

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone (CID 166338943) is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone is COc1ccc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1-c1ccnn1C.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone?
The InChIKey is LYWVNIZXQVMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-26-21(9-12-25-26)20-15-16(3-8-22(20)29-2)23(28)27-13-10-19(11-14-27)30-18-6-4-17(24)5-7-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone has a molecular weight of 425.92 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-methoxy-3-(2-methylpyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 166338943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).