1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one

C15H27NO2 — CID 168727093

IUPAC1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQYIDBSUDJCXJDI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.89
Rot. Bonds1

About 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one

1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 168727093) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
PubChem CID168727093
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H27NO2/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)15(4,5)6/h11H,7-10H2,1-6H3
InChIKeyQYIDBSUDJCXJDI-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071
1-[4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 27262291
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307
1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
2,2-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)propan-1-one
CID 118217451
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 171445163
2,2-dimethyl-1-(4-nitropiperidin-1-yl)propan-1-one
CID 156884350
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
2,2-dimethyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 62947088
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112537597
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one (CID 168727093) is 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is QYIDBSUDJCXJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)12(17)11-7-9-16(10-8-11)13(18)15(4,5)6/h11H,7-10H2,1-6H3.
What are the key properties of 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one?
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168727093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).