1-(2-phenylpropyl)piperidine-2,4-dione

C14H17NO2 — CID 104591585

IUPAC1-(2-phenylpropyl)piperidine-2,4-dione
SMILESCC(CN1CCC(=O)CC1=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)10-15-8-7-13(16)9-14(15)17/h2-6,11H,7-10H2,1H3
InChIKeyOXLLUKXWWIWPEL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-phenylpropyl)piperidine-2,4-dione

1-(2-phenylpropyl)piperidine-2,4-dione (PubChem CID 104591585) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-phenylpropyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2-phenylpropyl)piperidine-2,4-dione
PubChem CID104591585
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(2-phenylpropyl)piperidine-2,4-dione
SMILESCC(CN1CCC(=O)CC1=O)c1ccccc1
InChIInChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)10-15-8-7-13(16)9-14(15)17/h2-6,11H,7-10H2,1H3
InChIKeyOXLLUKXWWIWPEL-UHFFFAOYSA-N
XLogP1.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-2-propan-2-ylbutyl)piperidine-2,4-dione
CID 102906301
1-(2-phenylpropyl)piperazine-2,5-dione
CID 113430277
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
1-[(2-methylphenyl)methyl]piperidine-2,4-dione
CID 79515595
3-(methylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591599
2-(2-phenylpropyl)isoindole-1,3-dione
CID 10869184
N-[2-(2,4-dioxopiperidin-1-yl)ethyl]benzenesulfonamide
CID 160855832
1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
3-(ethylamino)-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591603
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
CID 113430281

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)piperidine-2,4-dione?
The IUPAC name of 1-(2-phenylpropyl)piperidine-2,4-dione (CID 104591585) is 1-(2-phenylpropyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2-phenylpropyl)piperidine-2,4-dione?
The canonical SMILES for 1-(2-phenylpropyl)piperidine-2,4-dione is CC(CN1CCC(=O)CC1=O)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)piperidine-2,4-dione?
The InChIKey is OXLLUKXWWIWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11(12-5-3-2-4-6-12)10-15-8-7-13(16)9-14(15)17/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-(2-phenylpropyl)piperidine-2,4-dione?
1-(2-phenylpropyl)piperidine-2,4-dione has a molecular weight of 231.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)piperidine-2,4-dione is sourced from PubChem (CID 104591585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).