1-piperazin-1-yl-2-pyrrolidin-1-ylethanone

C10H19N3O — CID 13057079

IUPAC1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h11H,1-9H2
InChIKeyJSXNAFSAVGIEML-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.49
Rot. Bonds2

About 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone

1-piperazin-1-yl-2-pyrrolidin-1-ylethanone (PubChem CID 13057079) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
PubChem CID13057079
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h11H,1-9H2
InChIKeyJSXNAFSAVGIEML-UHFFFAOYSA-N
XLogP-0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-piperazin-1-ylethanone
CID 81491611
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
4-(2-oxo-2-piperazin-1-ylethyl)piperazine-2,6-dione
CID 66084891
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
CID 39255742
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
2-(1,4-diazepan-1-yl)-1-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106668995
oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
CID 63160661
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone (CID 13057079) is 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone?
The InChIKey is JSXNAFSAVGIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10(9-12-5-1-2-6-12)13-7-3-11-4-8-13/h11H,1-9H2.
What are the key properties of 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone?
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone has a molecular weight of 197.28 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 13057079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).