[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone

C16H21Cl2N3O — CID 166600860

IUPAC[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2
InChIKeyUYQWCCWREXDWPQ-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.62
Rot. Bonds2

About [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 166600860) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID166600860
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1
InChIInChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2
InChIKeyUYQWCCWREXDWPQ-UHFFFAOYSA-N
XLogP3.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 166600860) is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone is O=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCCCC1.
What is the InChIKey of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UYQWCCWREXDWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c17-13-9-14(18)15(19-10-13)21-8-4-5-12(11-21)16(22)20-6-2-1-3-7-20/h9-10,12H,1-8,11H2.
What are the key properties of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 342.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166600860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).