1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone

C15H22N4O — CID 110271393

IUPAC1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(C3CCCN3)n2)CC1
InChIInChI=1S/C15H22N4O/c1-12(20)18-8-10-19(11-9-18)15-6-2-4-14(17-15)13-5-3-7-16-13/h2,4,6,13,16H,3,5,7-11H2,1H3
InChIKeyXOXLOAJTMXGGMC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.17
Rot. Bonds2

About 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone

1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 110271393) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID110271393
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(C3CCCN3)n2)CC1
InChIInChI=1S/C15H22N4O/c1-12(20)18-8-10-19(11-9-18)15-6-2-4-14(17-15)13-5-3-7-16-13/h2,4,6,13,16H,3,5,7-11H2,1H3
InChIKeyXOXLOAJTMXGGMC-UHFFFAOYSA-N
XLogP1.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
CID 95846671
N-methyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95804724
1-[4-(6-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55002941
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194
6-(4-acetyl-1,4-diazepan-1-yl)pyridine-2-carbonitrile
CID 64594721
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
6-[(2R)-pyrrolidin-2-yl]pyridine-2-carbaldehyde
CID 87404647
1-[4-(6-hydrazinyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 80900082
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259
N-cyclohexyl-6-[(2R)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846810
1-[4-[6-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 95825247
N-(2,2-difluoroethyl)-6-[(2S)-pyrrolidin-2-yl]pyridine-2-carboxamide
CID 125017412

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone (CID 110271393) is 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(C3CCCN3)n2)CC1.
What is the InChIKey of 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is XOXLOAJTMXGGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(20)18-8-10-19(11-9-18)15-6-2-4-14(17-15)13-5-3-7-16-13/h2,4,6,13,16H,3,5,7-11H2,1H3.
What are the key properties of 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 274.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-pyrrolidin-2-yl-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110271393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).