1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C12H17N3O2 — CID 176933932

IUPAC1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cccnc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H17N3O2/c1-10(16)14-6-8-15(9-7-14)12-11(17-2)4-3-5-13-12/h3-5H,6-9H2,1-2H3
InChIKeyDBPGDJGQFSTMNX-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.76
Rot. Bonds2

About 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 176933932) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID176933932
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1cccnc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C12H17N3O2/c1-10(16)14-6-8-15(9-7-14)12-11(17-2)4-3-5-13-12/h3-5H,6-9H2,1-2H3
InChIKeyDBPGDJGQFSTMNX-UHFFFAOYSA-N
XLogP0.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
N-[[2-(4-acetylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxy-4-methylbenzamide
CID 42567102
4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 171630603
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 172891020
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-(2-pyridin-2-ylethynyl)phenyl]methanone
CID 69038567
ethane;2-ethyl-4-[4-(3-methoxy-2-pyridinyl)piperazine-1-carbonyl]phthalazin-1-one
CID 171631020
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
(7-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 138460448

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 176933932) is 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1cccnc1N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is DBPGDJGQFSTMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(16)14-6-8-15(9-7-14)12-11(17-2)4-3-5-13-12/h3-5H,6-9H2,1-2H3.
What are the key properties of 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 176933932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).