(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone

C13H19N3O2 — CID 114221525

IUPAC(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)ccn2)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-7-11(18-2)4-6-16(9)13(17)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H2,14,15)
InChIKeyRLHDEQFNBJJNRB-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.30
Rot. Bonds2

About (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone

(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone (PubChem CID 114221525) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone
PubChem CID114221525
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2cc(N)ccn2)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-9-7-11(18-2)4-6-16(9)13(17)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H2,14,15)
InChIKeyRLHDEQFNBJJNRB-UHFFFAOYSA-N
XLogP1.30
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone (CID 114221525) is (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone is COC1CCN(C(=O)c2cc(N)ccn2)C(C)C1.
What is the InChIKey of (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone?
The InChIKey is RLHDEQFNBJJNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-11(18-2)4-6-16(9)13(17)12-8-10(14)3-5-15-12/h3,5,8-9,11H,4,6-7H2,1-2H3,(H2,14,15).
What are the key properties of (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone?
(4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-(4-methoxy-2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 114221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).