[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

C17H18ClN3O — CID 1441201

IUPAC[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1
InChIInChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
InChIKeyAGWSNYOZTIPZLY-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.10
Rot. Bonds3

About [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone

[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 1441201) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID1441201
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1
InChIInChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
InChIKeyAGWSNYOZTIPZLY-UHFFFAOYSA-N
XLogP4.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 1441201) is [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCCC1.
What is the InChIKey of [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is AGWSNYOZTIPZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20).
What are the key properties of [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 315.80 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1441201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).