[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C12H17N3O2 — CID 129493895

IUPAC[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](N)C2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3/t10-/m0/s1
InChIKeyQGEWWGGORGWLFK-JTQLQIEISA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds2

About [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 129493895) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID129493895
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H](N)C2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3/t10-/m0/s1
InChIKeyQGEWWGGORGWLFK-JTQLQIEISA-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

[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
(6-methoxy-3-pyridinyl)-[3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 90652589
(3-aminopiperidin-1-yl)-(6-methylsulfonyl-3-pyridinyl)methanone
CID 123523269
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(3-aminopiperidin-1-yl)-(6-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119378111
(3-aminopiperidin-1-yl)-[6-(azepan-1-yl)-3-pyridinyl]methanone
CID 119378158
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
1-(6-methoxypyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 47067016

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 129493895) is [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC[C@H](N)C2)cn1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is QGEWWGGORGWLFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-11-5-4-9(7-14-11)12(16)15-6-2-3-10(13)8-15/h4-5,7,10H,2-3,6,8,13H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-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 [(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 129493895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).