1-pentan-2-ylpiperidine-2,6-dione

C10H17NO2 — CID 130638251

IUPAC1-pentan-2-ylpiperidine-2,6-dione
SMILESCCCC(C)N1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO2/c1-3-5-8(2)11-9(12)6-4-7-10(11)13/h8H,3-7H2,1-2H3
InChIKeyKHRKWETZDQJBDH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.71
Rot. Bonds3

About 1-pentan-2-ylpiperidine-2,6-dione

1-pentan-2-ylpiperidine-2,6-dione (PubChem CID 130638251) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-pentan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-pentan-2-ylpiperidine-2,6-dione
PubChem CID130638251
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-pentan-2-ylpiperidine-2,6-dione
SMILESCCCC(C)N1C(=O)CCCC1=O
InChIInChI=1S/C10H17NO2/c1-3-5-8(2)11-9(12)6-4-7-10(11)13/h8H,3-7H2,1-2H3
InChIKeyKHRKWETZDQJBDH-UHFFFAOYSA-N
XLogP1.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-pentan-2-yl]pyrrolidin-2-one
CID 102393193
5-(2,7-dioxoazepan-1-yl)hexanoic acid
CID 82846685
3,4-dimethyl-1-pentan-2-ylpyrrole-2,5-dione
CID 90931087
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
1-(3-hydroxypentan-2-yl)piperidine-2,6-dione
CID 130893283
2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
CID 65222111
1-(1-aminopentan-2-yl)pyrrolidin-2-one
CID 65191937
1-[(2R)-4-(trimethylsilylmethyl)pent-4-en-2-yl]piperidine-2,6-dione
CID 10880073
2-[(2R)-pentan-2-yl]isoindole-1,3-dione
CID 10512957
1-pentan-2-yl-3-pentan-2-ylsulfanylpyrrolidine-2,5-dione
CID 155453161
1,3-di(heptan-4-yl)-1,3-diazinane-2,4,6-trione
CID 68636839
2-(2,7-dioxoazepan-1-yl)propanoic acid
CID 43446708

Frequently Asked Questions

What is the IUPAC name of 1-pentan-2-ylpiperidine-2,6-dione?
The IUPAC name of 1-pentan-2-ylpiperidine-2,6-dione (CID 130638251) is 1-pentan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 1-pentan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 1-pentan-2-ylpiperidine-2,6-dione is CCCC(C)N1C(=O)CCCC1=O.
What is the InChIKey of 1-pentan-2-ylpiperidine-2,6-dione?
The InChIKey is KHRKWETZDQJBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-8(2)11-9(12)6-4-7-10(11)13/h8H,3-7H2,1-2H3.
What are the key properties of 1-pentan-2-ylpiperidine-2,6-dione?
1-pentan-2-ylpiperidine-2,6-dione has a molecular weight of 183.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 130638251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).