2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one

C15H28N2O — CID 55168953

IUPAC2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
SMILESCCC(C)(C)C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H28N2O/c1-4-15(2,3)14(18)17-11-6-5-9-13(17)12-8-7-10-16-12/h12-13,16H,4-11H2,1-3H3
InChIKeyKUCMHHLZUMIWLF-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one

2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one (PubChem CID 55168953) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
PubChem CID55168953
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
SMILESCCC(C)(C)C(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C15H28N2O/c1-4-15(2,3)14(18)17-11-6-5-9-13(17)12-8-7-10-16-12/h12-13,16H,4-11H2,1-3H3
InChIKeyKUCMHHLZUMIWLF-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 114018492
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
1-(2,3,3a,5,6,7,8,8a-octahydro-1H-pyrrolo[3,2-b]azepin-4-yl)-2,2,2-trifluoroethanone
CID 178143561
2-ethyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62274755
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546679

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one (CID 55168953) is 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one is CCC(C)(C)C(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one?
The InChIKey is KUCMHHLZUMIWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-15(2,3)14(18)17-11-6-5-9-13(17)12-8-7-10-16-12/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one?
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 55168953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).