2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one

C16H28N2O2 — CID 58171877

IUPAC2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-12-8-5-9-13(18)14(19)17-10-6-4-7-11-17/h13H,4-12H2,1-3H3
InChIKeyXLQUHMGRTGJGOU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.43
Rot. Bonds1

About 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 58171877) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID58171877
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCCCC1C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-12-8-5-9-13(18)14(19)17-10-6-4-7-11-17/h13H,4-12H2,1-3H3
InChIKeyXLQUHMGRTGJGOU-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 58171877) is 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCCCC1C(=O)N1CCCCC1.
What is the InChIKey of 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is XLQUHMGRTGJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-12-8-5-9-13(18)14(19)17-10-6-4-7-11-17/h13H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 280.41 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58171877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).