3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide

C17H23F2N3O2 — CID 120601784

IUPAC3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCNC(C)C1)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10-7-13(5-6-20-10)22-17(24)9-16(21-11(2)23)14-4-3-12(18)8-15(14)19/h3-4,8,10,13,16,20H,5-7,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDKJNPEWTJKDUCR-UHFFFAOYSA-N
MW339.39 g/mol
LogP1.79
Rot. Bonds5

About 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide

3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120601784) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120601784
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC1CCNC(C)C1)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-10-7-13(5-6-20-10)22-17(24)9-16(21-11(2)23)14-4-3-12(18)8-15(14)19/h3-4,8,10,13,16,20H,5-7,9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDKJNPEWTJKDUCR-UHFFFAOYSA-N
XLogP1.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
4-(3-fluorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)-4-oxobutanamide;hydrochloride
CID 120600948
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-3-(2,4-difluorophenyl)propanamide
CID 119601624
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564
4-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-4-oxobutanamide
CID 120600804
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823800
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212
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

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide (CID 120601784) is 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide is CC(=O)NC(CC(=O)NC1CCNC(C)C1)c1ccc(F)cc1F.
What is the InChIKey of 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is DKJNPEWTJKDUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-10-7-13(5-6-20-10)22-17(24)9-16(21-11(2)23)14-4-3-12(18)8-15(14)19/h3-4,8,10,13,16,20H,5-7,9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide?
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 339.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120601784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).