3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C19H28ClF2N3O2 — CID 119823800

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CC(NC(C)=O)c1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C19H27F2N3O2.ClH/c1-3-10-24(15-6-8-22-9-7-15)19(26)12-18(23-13(2)25)16-5-4-14(20)11-17(16)21;/h4-5,11,15,18,22H,3,6-10,12H2,1-2H3,(H,23,25);1H
InChIKeyKGGPRAKYDFVDFL-UHFFFAOYSA-N
MW403.90 g/mol
LogP2.94
Rot. Bonds7

About 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119823800) has the molecular formula C19H28ClF2N3O2 and a molecular weight of 403.90 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119823800
Molecular FormulaC19H28ClF2N3O2
Molecular Weight403.90 g/mol
Exact Mass403.18
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CC(NC(C)=O)c1ccc(F)cc1F)C1CCNCC1.Cl
InChIInChI=1S/C19H27F2N3O2.ClH/c1-3-10-24(15-6-8-22-9-7-15)19(26)12-18(23-13(2)25)16-5-4-14(20)11-17(16)21;/h4-5,11,15,18,22H,3,6-10,12H2,1-2H3,(H,23,25);1H
InChIKeyKGGPRAKYDFVDFL-UHFFFAOYSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601784
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
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-(methylamino)ethyl]propanamide;hydrochloride
CID 119500924
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884859
3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119823800) is 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CC(NC(C)=O)c1ccc(F)cc1F)C1CCNCC1.Cl.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is KGGPRAKYDFVDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2.ClH/c1-3-10-24(15-6-8-22-9-7-15)19(26)12-18(23-13(2)25)16-5-4-14(20)11-17(16)21;/h4-5,11,15,18,22H,3,6-10,12H2,1-2H3,(H,23,25);1H.
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 403.90 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119823800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).