2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

C16H28N2O2 — CID 44616106

IUPAC2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-4-16(2,3)15(20)18-11-7-13(8-12-18)14(19)17-9-5-6-10-17/h13H,4-12H2,1-3H3
InChIKeyHHDVZVFDIULAOJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds3

About 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 44616106) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID44616106
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
SMILESCCC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-4-16(2,3)15(20)18-11-7-13(8-12-18)14(19)17-9-5-6-10-17/h13H,4-12H2,1-3H3
InChIKeyHHDVZVFDIULAOJ-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

1-(azepan-1-yl)-2,2-dimethylbutan-1-one
CID 4631423
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307
2,2,2-trifluoro-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110344018
3-amino-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 81489049
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylbutan-1-one
CID 94547731
1-(2,2-dimethylbutanoyl)piperidine-4-carbonitrile
CID 62897348
1-(3-hydroxypiperidin-1-yl)-2,2-dimethylbutan-1-one
CID 62677876
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796472
2,2-dimethyl-1-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55376220
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797693
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one (CID 44616106) is 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is CCC(C)(C)C(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is HHDVZVFDIULAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-16(2,3)15(20)18-11-7-13(8-12-18)14(19)17-9-5-6-10-17/h13H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one?
2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 44616106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).