3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide

C17H24F2N2O2 — CID 111429680

IUPAC3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
SMILESO=C(CCc1cc(F)ccc1F)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H24F2N2O2/c18-14-3-4-16(19)13(12-14)2-5-17(23)20-8-1-9-21-10-6-15(22)7-11-21/h3-4,12,15,22H,1-2,5-11H2,(H,20,23)
InChIKeyFSPDNSNONIUPON-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.86
Rot. Bonds7

About 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide

3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide (PubChem CID 111429680) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
PubChem CID111429680
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide
SMILESO=C(CCc1cc(F)ccc1F)NCCCN1CCC(O)CC1
InChIInChI=1S/C17H24F2N2O2/c18-14-3-4-16(19)13(12-14)2-5-17(23)20-8-1-9-21-10-6-15(22)7-11-21/h3-4,12,15,22H,1-2,5-11H2,(H,20,23)
InChIKeyFSPDNSNONIUPON-UHFFFAOYSA-N
XLogP1.86
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,5-difluorophenyl)propanoylamino]pentanoic acid
CID 119234208
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-thiophen-3-ylpropanamide
CID 111429543
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(2-fluorophenyl)propanamide
CID 47041716

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide (CID 111429680) is 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide is O=C(CCc1cc(F)ccc1F)NCCCN1CCC(O)CC1.
What is the InChIKey of 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide?
The InChIKey is FSPDNSNONIUPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c18-14-3-4-16(19)13(12-14)2-5-17(23)20-8-1-9-21-10-6-15(22)7-11-21/h3-4,12,15,22H,1-2,5-11H2,(H,20,23).
What are the key properties of 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide?
3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide has a molecular weight of 326.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 111429680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).