(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone

C17H25N3O — CID 109226519

IUPAC(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cncc(N3CCCCC3)c2)C1
InChIInChI=1S/C17H25N3O/c1-14-6-5-9-20(13-14)17(21)15-10-16(12-18-11-15)19-7-3-2-4-8-19/h10-12,14H,2-9,13H2,1H3
InChIKeyZFUTUQRJXCJOKO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone

(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 109226519) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID109226519
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC1CCCN(C(=O)c2cncc(N3CCCCC3)c2)C1
InChIInChI=1S/C17H25N3O/c1-14-6-5-9-20(13-14)17(21)15-10-16(12-18-11-15)19-7-3-2-4-8-19/h10-12,14H,2-9,13H2,1H3
InChIKeyZFUTUQRJXCJOKO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
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)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone (CID 109226519) is (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone is CC1CCCN(C(=O)c2cncc(N3CCCCC3)c2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is ZFUTUQRJXCJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-6-5-9-20(13-14)17(21)15-10-16(12-18-11-15)19-7-3-2-4-8-19/h10-12,14H,2-9,13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone?
(3-methylpiperidin-1-yl)-(5-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.94, 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)-(5-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 109226519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).