bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone

C33H46N4O3 — CID 57126077

IUPACbis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone
SMILESO=C(c1ccc(OC2CCCCC2N2CCCCC2)nc1)c1ccc(OC2CCCCC2N2CCCCC2)nc1
InChIInChI=1S/C33H46N4O3/c38-33(25-15-17-31(34-23-25)39-29-13-5-3-11-27(29)36-19-7-1-8-20-36)26-16-18-32(35-24-26)40-30-14-6-4-12-28(30)37-21-9-2-10-22-37/h15-18,23-24,27-30H,1-14,19-22H2
InChIKeyZXWZDQAFDSIDNG-UHFFFAOYSA-N
MW546.76 g/mol
LogP6.06
Rot. Bonds8

About bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone

bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone (PubChem CID 57126077) has the molecular formula C33H46N4O3 and a molecular weight of 546.76 g/mol. Its IUPAC name is bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone
PubChem CID57126077
Molecular FormulaC33H46N4O3
Molecular Weight546.76 g/mol
Exact Mass546.36
IUPAC Namebis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone
SMILESO=C(c1ccc(OC2CCCCC2N2CCCCC2)nc1)c1ccc(OC2CCCCC2N2CCCCC2)nc1
InChIInChI=1S/C33H46N4O3/c38-33(25-15-17-31(34-23-25)39-29-13-5-3-11-27(29)36-19-7-1-8-20-36)26-16-18-32(35-24-26)40-30-14-6-4-12-28(30)37-21-9-2-10-22-37/h15-18,23-24,27-30H,1-14,19-22H2
InChIKeyZXWZDQAFDSIDNG-UHFFFAOYSA-N
XLogP6.06
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.76
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone?
The IUPAC name of bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone (CID 57126077) is bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone.
What is the SMILES notation for bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone?
The canonical SMILES for bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone is O=C(c1ccc(OC2CCCCC2N2CCCCC2)nc1)c1ccc(OC2CCCCC2N2CCCCC2)nc1.
What is the InChIKey of bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone?
The InChIKey is ZXWZDQAFDSIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N4O3/c38-33(25-15-17-31(34-23-25)39-29-13-5-3-11-27(29)36-19-7-1-8-20-36)26-16-18-32(35-24-26)40-30-14-6-4-12-28(30)37-21-9-2-10-22-37/h15-18,23-24,27-30H,1-14,19-22H2.
What are the key properties of bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone?
bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone has a molecular weight of 546.76 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[6-(2-piperidin-1-ylcyclohexyl)oxy-3-pyridinyl]methanone is sourced from PubChem (CID 57126077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).