(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone

C17H25N3O2 — CID 71798592

IUPAC(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(Oc3ccccn3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-19-10-4-5-14(13-19)17(21)20-11-7-15(8-12-20)22-16-6-2-3-9-18-16/h2-3,6,9,14-15H,4-5,7-8,10-13H2,1H3
InChIKeyGUEMQTPLJMENQS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.79
Rot. Bonds3

About (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone

(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone (PubChem CID 71798592) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
PubChem CID71798592
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone
SMILESCN1CCCC(C(=O)N2CCC(Oc3ccccn3)CC2)C1
InChIInChI=1S/C17H25N3O2/c1-19-10-4-5-14(13-19)17(21)20-11-7-15(8-12-20)22-16-6-2-3-9-18-16/h2-3,6,9,14-15H,4-5,7-8,10-13H2,1H3
InChIKeyGUEMQTPLJMENQS-UHFFFAOYSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone (CID 71798592) is (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone is CN1CCCC(C(=O)N2CCC(Oc3ccccn3)CC2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is GUEMQTPLJMENQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-10-4-5-14(13-19)17(21)20-11-7-15(8-12-20)22-16-6-2-3-9-18-16/h2-3,6,9,14-15H,4-5,7-8,10-13H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone?
(1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 303.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-(4-pyridin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 71798592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).