5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid

C10H15F2NO3 — CID 116991461

IUPAC5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H15F2NO3/c11-10(12)5-2-6-13(7-10)8(14)3-1-4-9(15)16/h1-7H2,(H,15,16)
InChIKeyPVSQTORZNAYRJL-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.50
Rot. Bonds4

About 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid

5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 116991461) has the molecular formula C10H15F2NO3 and a molecular weight of 235.23 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
PubChem CID116991461
Molecular FormulaC10H15F2NO3
Molecular Weight235.23 g/mol
Exact Mass235.10
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C10H15F2NO3/c11-10(12)5-2-6-13(7-10)8(14)3-1-4-9(15)16/h1-7H2,(H,15,16)
InChIKeyPVSQTORZNAYRJL-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-difluoropiperidin-1-yl)propan-1-one
CID 89382158
4-amino-1-(3,3-difluoropiperidin-1-yl)pentan-1-one
CID 116991427
4-(3,3-difluoropiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 116991467
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
(3,3-difluoropiperidin-1-yl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116991510
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
CID 107214631
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
6-(4-methyl-1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 43447207
2-(4-bromophenyl)-1-(3,3-difluoropiperidin-1-yl)ethanone
CID 121409675

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid (CID 116991461) is 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is PVSQTORZNAYRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO3/c11-10(12)5-2-6-13(7-10)8(14)3-1-4-9(15)16/h1-7H2,(H,15,16).
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid?
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 235.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 116991461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).