1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one

C14H27N3O — CID 115268920

IUPAC1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)13(18)17-8-5-12(14(17,3)4)16-9-6-15-7-10-16/h11-12,15H,5-10H2,1-4H3
InChIKeyOQAOHXWJHCUNBL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds2

About 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one

1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 115268920) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID115268920
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)13(18)17-8-5-12(14(17,3)4)16-9-6-15-7-10-16/h11-12,15H,5-10H2,1-4H3
InChIKeyOQAOHXWJHCUNBL-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 115268922
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
2-methyl-1-(7-methyl-1,4-diazepan-1-yl)propan-1-one
CID 82240969
1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
CID 175786910
cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
CID 115269801
1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide
CID 70110667
1-(1-cyclopropyl-4,4-dimethylpiperidin-3-yl)piperazine
CID 117025945
1-(1-tert-butyl-2,2-dimethylpiperidin-3-yl)piperazine
CID 117019904
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
(5R)-N,N-dimethyl-2-(2-methylpropanoyl)-2-azabicyclo[3.1.0]hexane-1-carboxamide
CID 170060595
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
2-methyl-1-(2,2,3,3-tetramethylazetidin-1-yl)propan-1-one
CID 130734832

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 115268920) is 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCC(N2CCNCC2)C1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is OQAOHXWJHCUNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)13(18)17-8-5-12(14(17,3)4)16-9-6-15-7-10-16/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one?
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 115268920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).