(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

C17H19N3O — CID 53014242

IUPAC(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C17H19N3O/c1-13-6-9-20(10-7-13)17(21)15-4-5-16(19-12-15)14-3-2-8-18-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyJEWFTYKHVPJITN-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone

(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (PubChem CID 53014242) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
PubChem CID53014242
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCC1CCN(C(=O)c2ccc(-c3cccnc3)nc2)CC1
InChIInChI=1S/C17H19N3O/c1-13-6-9-20(10-7-13)17(21)15-4-5-16(19-12-15)14-3-2-8-18-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyJEWFTYKHVPJITN-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (CID 53014242) is (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is CC1CCN(C(=O)c2ccc(-c3cccnc3)nc2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The InChIKey is JEWFTYKHVPJITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-9-20(10-7-13)17(21)15-4-5-16(19-12-15)14-3-2-8-18-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
(4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53014242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).