2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

C13H25N3O — CID 20613836

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2)15-9-7-14(8-10-15)11-13(17)16-5-3-4-6-16/h12H,3-11H2,1-2H3
InChIKeyDURPXKINUKHVEU-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds3

About 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone

2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 20613836) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
PubChem CID20613836
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)N1CCN(CC(=O)N2CCCC2)CC1
InChIInChI=1S/C13H25N3O/c1-12(2)15-9-7-14(8-10-15)11-13(17)16-5-3-4-6-16/h12H,3-11H2,1-2H3
InChIKeyDURPXKINUKHVEU-UHFFFAOYSA-N
XLogP0.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone (CID 20613836) is 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is CC(C)N1CCN(CC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is DURPXKINUKHVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)15-9-7-14(8-10-15)11-13(17)16-5-3-4-6-16/h12H,3-11H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone?
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 239.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 20613836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).