1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone

C10H19N3O — CID 70297002

IUPAC1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNCC1N1CCCC1
InChIInChI=1S/C10H19N3O/c1-9(14)13-7-4-11-8-10(13)12-5-2-3-6-12/h10-11H,2-8H2,1H3
InChIKeyUINWICCIQJXPBE-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.14
Rot. Bonds1

About 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone

1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone (PubChem CID 70297002) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
PubChem CID70297002
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCNCC1N1CCCC1
InChIInChI=1S/C10H19N3O/c1-9(14)13-7-4-11-8-10(13)12-5-2-3-6-12/h10-11H,2-8H2,1H3
InChIKeyUINWICCIQJXPBE-UHFFFAOYSA-N
XLogP-0.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
1-(2-prop-1-en-2-ylpiperazin-1-yl)ethanone
CID 176676947
1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
1-[2-(trifluoromethyl)piperazin-1-yl]ethanone
CID 58542246
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
2,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CID 140873535
(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;methanol
CID 142143795
(2S)-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 82756259
1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
CID 175882463

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone (CID 70297002) is 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone is CC(=O)N1CCNCC1N1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone?
The InChIKey is UINWICCIQJXPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(14)13-7-4-11-8-10(13)12-5-2-3-6-12/h10-11H,2-8H2,1H3.
What are the key properties of 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone?
1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70297002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).