3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide

C16H21F2N3O2 — CID 91841794

IUPAC3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
SMILESCC(=O)NC1CCCN(CCC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C16H21F2N3O2/c1-11(22)19-13-3-2-7-21(10-13)8-6-16(23)20-15-9-12(17)4-5-14(15)18/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyZTVUEJYWJBHJLF-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.89
Rot. Bonds5

About 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide

3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide (PubChem CID 91841794) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
PubChem CID91841794
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
SMILESCC(=O)NC1CCCN(CCC(=O)Nc2cc(F)ccc2F)C1
InChIInChI=1S/C16H21F2N3O2/c1-11(22)19-13-3-2-7-21(10-13)8-6-16(23)20-15-9-12(17)4-5-14(15)18/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyZTVUEJYWJBHJLF-UHFFFAOYSA-N
XLogP1.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
N-(2,5-dichlorophenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119920297
N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955989
N-(2,5-difluorophenyl)-3-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]propanamide
CID 91837450
N-(2,5-difluorophenyl)-3-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 91837190
3-acetamido-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 47258071
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
(3S)-3-acetamido-N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 96559490

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide (CID 91841794) is 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide is CC(=O)NC1CCCN(CCC(=O)Nc2cc(F)ccc2F)C1.
What is the InChIKey of 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide?
The InChIKey is ZTVUEJYWJBHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-11(22)19-13-3-2-7-21(10-13)8-6-16(23)20-15-9-12(17)4-5-14(15)18/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide?
3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide has a molecular weight of 325.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 91841794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).