2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone

C12H17N3O2 — CID 154975976

IUPAC2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCOC(C(=O)N1CCNCC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-17-11(10-2-4-13-5-3-10)12(16)15-8-6-14-7-9-15/h2-5,11,14H,6-9H2,1H3
InChIKeyPCVNKBXEQADWBM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.20
Rot. Bonds3

About 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone

2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone (PubChem CID 154975976) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
PubChem CID154975976
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCOC(C(=O)N1CCNCC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-17-11(10-2-4-13-5-3-10)12(16)15-8-6-14-7-9-15/h2-5,11,14H,6-9H2,1H3
InChIKeyPCVNKBXEQADWBM-UHFFFAOYSA-N
XLogP0.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
[1-[4-(2-methylhydrazinyl)phenyl]-2-oxo-2-piperazin-1-ylethyl] formate
CID 144981801
N-ethyl-4-[(2R)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234926
N-ethyl-4-[(2S)-2-methoxy-2-phenylacetyl]piperazine-1-carboxamide
CID 95234927
1-piperazin-1-yl-2-pyrimidin-5-ylpropan-1-one
CID 82509276
2-(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402873
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
N-(pyridine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 167508138

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone?
The IUPAC name of 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone (CID 154975976) is 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone.
What is the SMILES notation for 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone?
The canonical SMILES for 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone is COC(C(=O)N1CCNCC1)c1ccncc1.
What is the InChIKey of 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone?
The InChIKey is PCVNKBXEQADWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11(10-2-4-13-5-3-10)12(16)15-8-6-14-7-9-15/h2-5,11,14H,6-9H2,1H3.
What are the key properties of 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone?
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone has a molecular weight of 235.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone is sourced from PubChem (CID 154975976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).