1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

C17H25N3O2 — CID 95825652

IUPAC1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccc(NC3CCOCC3)n2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-9-5-14(6-10-20)16-3-2-4-17(19-16)18-15-7-11-22-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,18,19)
InChIKeyVCCDYDWJZMSKKX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.40
Rot. Bonds3

About 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone

1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95825652) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID95825652
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccc(NC3CCOCC3)n2)CC1
InChIInChI=1S/C17H25N3O2/c1-13(21)20-9-5-14(6-10-20)16-3-2-4-17(19-16)18-15-7-11-22-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,18,19)
InChIKeyVCCDYDWJZMSKKX-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone (CID 95825652) is 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccc(NC3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is VCCDYDWJZMSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(21)20-9-5-14(6-10-20)16-3-2-4-17(19-16)18-15-7-11-22-12-8-15/h2-4,14-15H,5-12H2,1H3,(H,18,19).
What are the key properties of 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 303.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(oxan-4-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).