2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide

C17H20ClFN4O — CID 72938584

IUPAC2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C17H20ClFN4O/c18-14-3-1-2-13(16(14)19)10-22-7-4-12(5-8-22)17-21-6-9-23(17)11-15(20)24/h1-3,6,9,12H,4-5,7-8,10-11H2,(H2,20,24)
InChIKeyXDGIVHCAMSDSQA-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72938584) has the molecular formula C17H20ClFN4O and a molecular weight of 350.83 g/mol. Its IUPAC name is 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72938584
Molecular FormulaC17H20ClFN4O
Molecular Weight350.83 g/mol
Exact Mass350.13
IUPAC Name2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCN(Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C17H20ClFN4O/c18-14-3-1-2-13(16(14)19)10-22-7-4-12(5-8-22)17-21-6-9-23(17)11-15(20)24/h1-3,6,9,12H,4-5,7-8,10-11H2,(H2,20,24)
InChIKeyXDGIVHCAMSDSQA-UHFFFAOYSA-N
XLogP2.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72913616
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
2-[2-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270306
2-[2-(1-quinolin-2-ylpiperidin-4-yl)imidazol-1-yl]acetamide
CID 72938350
1-[(3-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)piperidine
CID 102859725
3-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 114489078
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
2-[2-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72919642
2-[2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283919
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide (CID 72938584) is 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCN(Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is XDGIVHCAMSDSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O/c18-14-3-1-2-13(16(14)19)10-22-7-4-12(5-8-22)17-21-6-9-23(17)11-15(20)24/h1-3,6,9,12H,4-5,7-8,10-11H2,(H2,20,24).
What are the key properties of 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 350.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72938584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).