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

C17H19N3O — CID 53014241

IUPAC(3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cccnc3)nc2)C1
InChIInChI=1S/C17H19N3O/c1-13-4-3-9-20(12-13)17(21)15-6-7-16(19-11-15)14-5-2-8-18-10-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3
InChIKeySVRIGRPANIQSFV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds2

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

(3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (PubChem CID 53014241) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
PubChem CID53014241
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3cccnc3)nc2)C1
InChIInChI=1S/C17H19N3O/c1-13-4-3-9-20(12-13)17(21)15-6-7-16(19-11-15)14-5-2-8-18-10-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3
InChIKeySVRIGRPANIQSFV-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 (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone (CID 53014241) is (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is CC1CCCN(C(=O)c2ccc(-c3cccnc3)nc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
The InChIKey is SVRIGRPANIQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-4-3-9-20(12-13)17(21)15-6-7-16(19-11-15)14-5-2-8-18-10-14/h2,5-8,10-11,13H,3-4,9,12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone?
(3-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 (3-methylpiperidin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 53014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).