[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone

C21H20ClN3O2 — CID 166335707

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncc[nH]2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClN3O2/c22-17-5-7-18(8-6-17)27-19-9-13-25(14-10-19)21(26)16-3-1-15(2-4-16)20-23-11-12-24-20/h1-8,11-12,19H,9-10,13-14H2,(H,23,24)
InChIKeyZBPJYQKXWZQEEI-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.41
Rot. Bonds4

About [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone

[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 166335707) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID166335707
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2ncc[nH]2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H20ClN3O2/c22-17-5-7-18(8-6-17)27-19-9-13-25(14-10-19)21(26)16-3-1-15(2-4-16)20-23-11-12-24-20/h1-8,11-12,19H,9-10,13-14H2,(H,23,24)
InChIKeyZBPJYQKXWZQEEI-UHFFFAOYSA-N
XLogP4.41
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-chloro-2-pyridinyl)methanone
CID 166335688
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
[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]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
[4-[1-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72874168
[4-(4-chlorophenoxy)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 67169308
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 67170194
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone (CID 166335707) is [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2ncc[nH]2)cc1)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is ZBPJYQKXWZQEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c22-17-5-7-18(8-6-17)27-19-9-13-25(14-10-19)21(26)16-3-1-15(2-4-16)20-23-11-12-24-20/h1-8,11-12,19H,9-10,13-14H2,(H,23,24).
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 381.86 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[4-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 166335707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).