[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone

C30H34N2O3 — CID 129456421

IUPAC[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4cccc(Cc5ccccc5)n4)CC3)CCOCC2)cc1
InChIInChI=1S/C30H34N2O3/c1-34-27-12-10-25(11-13-27)30(16-20-35-21-17-30)29(33)32-18-14-24(15-19-32)28-9-5-8-26(31-28)22-23-6-3-2-4-7-23/h2-13,24H,14-22H2,1H3
InChIKeyLUWXNLUXVNBAHU-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.14
Rot. Bonds6

About [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone

[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone (PubChem CID 129456421) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
PubChem CID129456421
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4cccc(Cc5ccccc5)n4)CC3)CCOCC2)cc1
InChIInChI=1S/C30H34N2O3/c1-34-27-12-10-25(11-13-27)30(16-20-35-21-17-30)29(33)32-18-14-24(15-19-32)28-9-5-8-26(31-28)22-23-6-3-2-4-7-23/h2-13,24H,14-22H2,1H3
InChIKeyLUWXNLUXVNBAHU-UHFFFAOYSA-N
XLogP5.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone?
The IUPAC name of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone (CID 129456421) is [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone.
What is the SMILES notation for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone?
The canonical SMILES for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone is COc1ccc(C2(C(=O)N3CCC(c4cccc(Cc5ccccc5)n4)CC3)CCOCC2)cc1.
What is the InChIKey of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone?
The InChIKey is LUWXNLUXVNBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-34-27-12-10-25(11-13-27)30(16-20-35-21-17-30)29(33)32-18-14-24(15-19-32)28-9-5-8-26(31-28)22-23-6-3-2-4-7-23/h2-13,24H,14-22H2,1H3.
What are the key properties of [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone?
[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone has a molecular weight of 470.61 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 129456421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).