[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone

C13H19N3O2 — CID 105062936

IUPAC[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCCC(CN)C1
InChIInChI=1S/C13H19N3O2/c1-18-12-8-15-5-4-11(12)13(17)16-6-2-3-10(7-14)9-16/h4-5,8,10H,2-3,6-7,9,14H2,1H3
InChIKeyJLZCWXHUSCMFBD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.90
Rot. Bonds3

About [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone

[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone (PubChem CID 105062936) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
PubChem CID105062936
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCCC(CN)C1
InChIInChI=1S/C13H19N3O2/c1-18-12-8-15-5-4-11(12)13(17)16-6-2-3-10(7-14)9-16/h4-5,8,10H,2-3,6-7,9,14H2,1H3
InChIKeyJLZCWXHUSCMFBD-UHFFFAOYSA-N
XLogP0.90
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755
[3-(aminomethyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone;hydrochloride
CID 119464967
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
[3-(aminomethyl)piperidin-1-yl]-(2,5-dimethoxyphenyl)methanone;hydrochloride
CID 119464934
ethyl 1-(3-methoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 105064219
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone;dihydrochloride
CID 120727383
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[4-(ethylamino)-3-methylpiperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062880
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-chloro-4-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66464424

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone (CID 105062936) is [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1CCCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is JLZCWXHUSCMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-8-15-5-4-11(12)13(17)16-6-2-3-10(7-14)9-16/h4-5,8,10H,2-3,6-7,9,14H2,1H3.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 105062936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).