(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone

C12H17N3O2 — CID 121200428

IUPAC(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-17-11-8-9(2-5-14-11)12(16)15-6-3-10(13)4-7-15/h2,5,8,10H,3-4,6-7,13H2,1H3
InChIKeyQTDYTVSNIRCQHW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone

(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone (PubChem CID 121200428) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
PubChem CID121200428
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2CCC(N)CC2)ccn1
InChIInChI=1S/C12H17N3O2/c1-17-11-8-9(2-5-14-11)12(16)15-6-3-10(13)4-7-15/h2,5,8,10H,3-4,6-7,13H2,1H3
InChIKeyQTDYTVSNIRCQHW-UHFFFAOYSA-N
XLogP0.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
(2-methoxy-4-pyridinyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70740617
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone (CID 121200428) is (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2CCC(N)CC2)ccn1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is QTDYTVSNIRCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-8-9(2-5-14-11)12(16)15-6-3-10(13)4-7-15/h2,5,8,10H,3-4,6-7,13H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone?
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 121200428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).