1-phenyl-5-piperidin-1-ylpentane-1,2-dione

C16H21NO2 — CID 160870242

IUPAC1-phenyl-5-piperidin-1-ylpentane-1,2-dione
SMILESO=C(CCCN1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-15(16(19)14-8-3-1-4-9-14)10-7-13-17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-13H2
InChIKeySLQUMTYZADWJHK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.70
Rot. Bonds6

About 1-phenyl-5-piperidin-1-ylpentane-1,2-dione

1-phenyl-5-piperidin-1-ylpentane-1,2-dione (PubChem CID 160870242) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-phenyl-5-piperidin-1-ylpentane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-5-piperidin-1-ylpentane-1,2-dione
PubChem CID160870242
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-phenyl-5-piperidin-1-ylpentane-1,2-dione
SMILESO=C(CCCN1CCCCC1)C(=O)c1ccccc1
InChIInChI=1S/C16H21NO2/c18-15(16(19)14-8-3-1-4-9-14)10-7-13-17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-13H2
InChIKeySLQUMTYZADWJHK-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

carbanide;(2E)-2-(hydroxymethylidene)-1-phenyl-4-piperidin-1-ylbutan-1-one;tungsten
CID 158558407
1,3,5-tris[8-[4-(4,5-dioxo-5-phenylpentyl)piperazin-1-yl]-8-oxooctyl]-1,3,5-triazinane-2,4,6-trione
CID 158077166
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
5-(azepan-1-yl)-1-naphthalen-2-ylpentan-1-one
CID 59229826
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
CID 110398502
4-(azepan-1-yl)-1-(3-phenoxyazetidin-1-yl)butan-1-one
CID 90652343
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-piperidin-1-ylpentane-1,2-dione?
The IUPAC name of 1-phenyl-5-piperidin-1-ylpentane-1,2-dione (CID 160870242) is 1-phenyl-5-piperidin-1-ylpentane-1,2-dione.
What is the SMILES notation for 1-phenyl-5-piperidin-1-ylpentane-1,2-dione?
The canonical SMILES for 1-phenyl-5-piperidin-1-ylpentane-1,2-dione is O=C(CCCN1CCCCC1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-5-piperidin-1-ylpentane-1,2-dione?
The InChIKey is SLQUMTYZADWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15(16(19)14-8-3-1-4-9-14)10-7-13-17-11-5-2-6-12-17/h1,3-4,8-9H,2,5-7,10-13H2.
What are the key properties of 1-phenyl-5-piperidin-1-ylpentane-1,2-dione?
1-phenyl-5-piperidin-1-ylpentane-1,2-dione has a molecular weight of 259.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-piperidin-1-ylpentane-1,2-dione is sourced from PubChem (CID 160870242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).