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

C15H29N3O — CID 115268922

IUPAC1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C15H29N3O/c1-4-5-6-14(19)18-10-7-13(15(18,2)3)17-11-8-16-9-12-17/h13,16H,4-12H2,1-3H3
InChIKeyXLPBPFWVVPJXMQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds4

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

1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one (PubChem CID 115268922) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
PubChem CID115268922
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
SMILESCCCCC(=O)N1CCC(N2CCNCC2)C1(C)C
InChIInChI=1S/C15H29N3O/c1-4-5-6-14(19)18-10-7-13(15(18,2)3)17-11-8-16-9-12-17/h13,16H,4-12H2,1-3H3
InChIKeyXLPBPFWVVPJXMQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 115268920
1-(7-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 82241192
1-(3-piperazin-1-ylpiperidin-1-yl)pentan-1-one
CID 115270004
1-piperazin-1-ylpentadecan-1-one
CID 126705881
1-(2,5,5-trimethylmorpholin-4-yl)pentan-1-one
CID 52985704
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)heptan-1-one
CID 115276032
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
CID 11661301
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
1-(3-piperidin-4-ylpyrrolidin-1-yl)heptan-1-one
CID 115276420
1-methyl-2-piperazin-1-ylcyclopropane-1-carboxylic acid
CID 175786910

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one?
The IUPAC name of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one (CID 115268922) is 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one is CCCCC(=O)N1CCC(N2CCNCC2)C1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one?
The InChIKey is XLPBPFWVVPJXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-5-6-14(19)18-10-7-13(15(18,2)3)17-11-8-16-9-12-17/h13,16H,4-12H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one?
1-(2,2-dimethyl-3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.46, 4 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)pentan-1-one is sourced from PubChem (CID 115268922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).