N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

C17H22ClF2N5O2 — CID 120871328

IUPACN-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H21F2N5O2.ClH/c1-23-8-7-21-16(23)13-10-20-6-9-24(13)11-15(25)22-12-4-2-3-5-14(12)26-17(18)19;/h2-5,7-8,13,17,20H,6,9-11H2,1H3,(H,22,25);1H
InChIKeyWMUQJBXTKNUKEF-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.03
Rot. Bonds6

About N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride

N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120871328) has the molecular formula C17H22ClF2N5O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID120871328
Molecular FormulaC17H22ClF2N5O2
Molecular Weight401.85 g/mol
Exact Mass401.14
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H21F2N5O2.ClH/c1-23-8-7-21-16(23)13-10-20-6-9-24(13)11-15(25)22-12-4-2-3-5-14(12)26-17(18)19;/h2-5,7-8,13,17,20H,6,9-11H2,1H3,(H,22,25);1H
InChIKeyWMUQJBXTKNUKEF-UHFFFAOYSA-N
XLogP2.03
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120869993
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-tert-butylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871124
N-(2,3-dimethylphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120869970
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 120870399
N-(5-chloro-2-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871158
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120871180
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120870948
N-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870377
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(5-chloro-2-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870196
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 120869985

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride (CID 120871328) is N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CC(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is WMUQJBXTKNUKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2.ClH/c1-23-8-7-21-16(23)13-10-20-6-9-24(13)11-15(25)22-12-4-2-3-5-14(12)26-17(18)19;/h2-5,7-8,13,17,20H,6,9-11H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride?
N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 401.85 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120871328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).