2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one

C16H28N2O2 — CID 94857668

IUPAC2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-11-7-8-13(12-18)14(19)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyWRQJGJBCCIZPGD-CYBMUJFWSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds1

About 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 94857668) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID94857668
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-11-7-8-13(12-18)14(19)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3/t13-/m1/s1
InChIKeyWRQJGJBCCIZPGD-CYBMUJFWSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
1-[3-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984373
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
methyl (3S)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxylate
CID 78919329
2,2-dimethyl-1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119547113
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
1-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119639555
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
2,2-dimethyl-1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47985802
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 102557880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 94857668) is 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N2CCCCC2)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is WRQJGJBCCIZPGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)15(20)18-11-7-8-13(12-18)14(19)17-9-5-4-6-10-17/h13H,4-12H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 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-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94857668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).