(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone

C17H25N3O — CID 84573692

IUPAC(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C17H25N3O/c1-14-8-3-6-13-20(14)17(21)15-9-7-10-16(18-15)19-11-4-2-5-12-19/h7,9-10,14H,2-6,8,11-13H2,1H3
InChIKeyHPWHGRIBEKKNNY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.09
Rot. Bonds2

About (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone

(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone (PubChem CID 84573692) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
PubChem CID84573692
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
SMILESCC1CCCCN1C(=O)c1cccc(N2CCCCC2)n1
InChIInChI=1S/C17H25N3O/c1-14-8-3-6-13-20(14)17(21)15-9-7-10-16(18-15)19-11-4-2-5-12-19/h7,9-10,14H,2-6,8,11-13H2,1H3
InChIKeyHPWHGRIBEKKNNY-UHFFFAOYSA-N
XLogP3.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone (CID 84573692) is (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone is CC1CCCCN1C(=O)c1cccc(N2CCCCC2)n1.
What is the InChIKey of (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
The InChIKey is HPWHGRIBEKKNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-8-3-6-13-20(14)17(21)15-9-7-10-16(18-15)19-11-4-2-5-12-19/h7,9-10,14H,2-6,8,11-13H2,1H3.
What are the key properties of (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone?
(2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone has a molecular weight of 287.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 84573692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).