(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone

C12H17N3O — CID 106752260

IUPAC(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCCC(N)C2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-7-10(4-5-14-9)12(16)15-6-2-3-11(13)8-15/h4-5,7,11H,2-3,6,8,13H2,1H3
InChIKeyPJODQYRLOXJXCL-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.95
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone

(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106752260) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106752260
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCCC(N)C2)ccn1
InChIInChI=1S/C12H17N3O/c1-9-7-10(4-5-14-9)12(16)15-6-2-3-11(13)8-15/h4-5,7,11H,2-3,6,8,13H2,1H3
InChIKeyPJODQYRLOXJXCL-UHFFFAOYSA-N
XLogP0.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 83733082
(3-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 61297571
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
(3-aminopiperidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone;hydrochloride
CID 119378692
(3-ethyl-4-hydroxypiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106753502
(3-aminopiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107023968
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
methyl 3-(3-aminopiperidine-1-carbonyl)benzoate
CID 176515174

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone (CID 106752260) is (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CCCC(N)C2)ccn1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is PJODQYRLOXJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-10(4-5-14-9)12(16)15-6-2-3-11(13)8-15/h4-5,7,11H,2-3,6,8,13H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone?
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 219.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106752260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).