N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride

C17H24ClF2N3O2 — CID 120572381

IUPACN-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-10-11(2)22(7-6-20-10)17(24)9-16(21-12(3)23)14-5-4-13(18)8-15(14)19;/h4-5,8,10-11,16,20H,6-7,9H2,1-3H3,(H,21,23);1H
InChIKeyDENUWOGZODDZBA-UHFFFAOYSA-N
MW375.85 g/mol
LogP2.16
Rot. Bonds4

About N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride

N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride (PubChem CID 120572381) has the molecular formula C17H24ClF2N3O2 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
PubChem CID120572381
Molecular FormulaC17H24ClF2N3O2
Molecular Weight375.85 g/mol
Exact Mass375.15
IUPAC NameN-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccc(F)cc1F.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-10-11(2)22(7-6-20-10)17(24)9-16(21-12(3)23)14-5-4-13(18)8-15(14)19;/h4-5,8,10-11,16,20H,6-7,9H2,1-3H3,(H,21,23);1H
InChIKeyDENUWOGZODDZBA-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 120573189
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120816478
3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569523
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
N-[1-(2,4-difluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 119539315
N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide
CID 154843783
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride (CID 120572381) is N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride is CC(=O)NC(CC(=O)N1CCNC(C)C1C)c1ccc(F)cc1F.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
The InChIKey is DENUWOGZODDZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2.ClH/c1-10-11(2)22(7-6-20-10)17(24)9-16(21-12(3)23)14-5-4-13(18)8-15(14)19;/h4-5,8,10-11,16,20H,6-7,9H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride?
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride is sourced from PubChem (CID 120572381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).