2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

C12H22N4O2 — CID 119876027

IUPAC2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H22N4O2/c13-9-11(17)15-5-7-16(8-6-15)12(18)10-14-3-1-2-4-14/h1-10,13H2
InChIKeyLUXFHHOYIKOLEX-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.29
Rot. Bonds3

About 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone (PubChem CID 119876027) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
PubChem CID119876027
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(C(=O)CN2CCCC2)CC1
InChIInChI=1S/C12H22N4O2/c13-9-11(17)15-5-7-16(8-6-15)12(18)10-14-3-1-2-4-14/h1-10,13H2
InChIKeyLUXFHHOYIKOLEX-UHFFFAOYSA-N
XLogP-1.29
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxalic acid;2-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 171669466
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 130618835
4-[2-(azetidin-1-yl)acetyl]piperazine-1-carboxylic acid
CID 141382858
4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxylic acid
CID 22047729
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-(4-aminopiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 71131603
1-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110932660
3-amino-2-methyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 120503693

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone (CID 119876027) is 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone is NCC(=O)N1CCN(C(=O)CN2CCCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone?
The InChIKey is LUXFHHOYIKOLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c13-9-11(17)15-5-7-16(8-6-15)12(18)10-14-3-1-2-4-14/h1-10,13H2.
What are the key properties of 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone?
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone has a molecular weight of 254.33 g/mol, XLogP of -1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119876027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).