2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone

C17H19Cl2N3O2 — CID 11394532

IUPAC2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C17H19Cl2N3O2/c18-13-2-1-12(16(19)8-13)7-17(23)22-5-3-15(4-6-22)24-10-14-9-20-11-21-14/h1-2,8-9,11,15H,3-7,10H2,(H,20,21)
InChIKeyWNLAYLAHWPVLSZ-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.47
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone

2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 11394532) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID11394532
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)N1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C17H19Cl2N3O2/c18-13-2-1-12(16(19)8-13)7-17(23)22-5-3-15(4-6-22)24-10-14-9-20-11-21-14/h1-2,8-9,11,15H,3-7,10H2,(H,20,21)
InChIKeyWNLAYLAHWPVLSZ-UHFFFAOYSA-N
XLogP3.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11198440
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119661511
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119661510
1-[(4-chlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
CID 11449605
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
CID 24898567
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
CID 43521392
2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 124611116

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone (CID 11394532) is 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1Cl)N1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is WNLAYLAHWPVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c18-13-2-1-12(16(19)8-13)7-17(23)22-5-3-15(4-6-22)24-10-14-9-20-11-21-14/h1-2,8-9,11,15H,3-7,10H2,(H,20,21).
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone?
2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 368.26 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 11394532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).