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

C17H24ClF2N3O2 — CID 119560695

IUPACN-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
SMILESCNC1CCN(C(=O)CC(NC(C)=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-11(23)21-16(14-4-3-12(18)9-15(14)19)10-17(24)22-7-5-13(20-2)6-8-22;/h3-4,9,13,16,20H,5-8,10H2,1-2H3,(H,21,23);1H
InChIKeyYXBWRJOHMBCROY-UHFFFAOYSA-N
MW375.85 g/mol
LogP2.16
Rot. Bonds5

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

N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride (PubChem CID 119560695) has the molecular formula C17H24ClF2N3O2 and a molecular weight of 375.85 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
PubChem CID119560695
Molecular FormulaC17H24ClF2N3O2
Molecular Weight375.85 g/mol
Exact Mass375.15
IUPAC NameN-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
SMILESCNC1CCN(C(=O)CC(NC(C)=O)c2ccc(F)cc2F)CC1.Cl
InChIInChI=1S/C17H23F2N3O2.ClH/c1-11(23)21-16(14-4-3-12(18)9-15(14)19)10-17(24)22-7-5-13(20-2)6-8-22;/h3-4,9,13,16,20H,5-8,10H2,1-2H3,(H,21,23);1H
InChIKeyYXBWRJOHMBCROY-UHFFFAOYSA-N
XLogP2.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[1-(2,4-difluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 119539315
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120816478
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
3-acetamido-3-(2,4-difluorophenyl)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride?
The IUPAC name of N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride (CID 119560695) is N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride is CNC1CCN(C(=O)CC(NC(C)=O)c2ccc(F)cc2F)CC1.Cl.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride?
The InChIKey is YXBWRJOHMBCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2.ClH/c1-11(23)21-16(14-4-3-12(18)9-15(14)19)10-17(24)22-7-5-13(20-2)6-8-22;/h3-4,9,13,16,20H,5-8,10H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride?
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride has a molecular weight of 375.85 g/mol, XLogP of 2.16, 5 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-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride is sourced from PubChem (CID 119560695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).