1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione

C14H24N2O2 — CID 60950466

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-12(17)11-14(18)16-9-5-13(6-10-16)15-7-3-2-4-8-15/h13H,2-11H2,1H3
InChIKeyQHRHZXQIKKVKAC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.44
Rot. Bonds3

About 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione

1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione (PubChem CID 60950466) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
PubChem CID60950466
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
SMILESCC(=O)CC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-12(17)11-14(18)16-9-5-13(6-10-16)15-7-3-2-4-8-15/h13H,2-11H2,1H3
InChIKeyQHRHZXQIKKVKAC-UHFFFAOYSA-N
XLogP1.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(Piperidin-1-yl)piperidin-1-yl)ethanone
CID 14571195
1,3-Bis(2-methylpiperidin-1-yl)propane-1,3-dione
CID 3407388
1,3-Di(piperidin-1-yl)propane-1,3-dione
CID 2334552
1-(1-Methylpiperidin-4-yl)piperidin-4-one
CID 43373529
1,3-Bis(2-ethylpiperidin-1-yl)propane-1,3-dione
CID 4404335
Acetoacet-2,6-dimethylpiperidide
CID 268100
1-Acetoacetyl-2-Methylpiperidine
CID 296333
1-(3-Piperidin-1-ylpropanoyl)piperidin-4-one
CID 123539984
1-(2,6-Dimethylpiperidin-1-yl)-3-piperidin-1-ylpropan-1-one
CID 3024863
1-[4-(Dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione
CID 110479376
1-[3-(2-Oxopiperidin-1-yl)butyl]piperidin-2-one
CID 15389349
1,3-Di(piperidin-1-yl)propane-1,2,3-trione
CID 18719609

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione (CID 60950466) is 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione is CC(=O)CC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione?
The InChIKey is QHRHZXQIKKVKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(17)11-14(18)16-9-5-13(6-10-16)15-7-3-2-4-8-15/h13H,2-11H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione?
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione has a molecular weight of 252.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione is sourced from PubChem (CID 60950466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).