[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone

C43H58N2O8 — CID 59289855

IUPAC[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCC(CCCC3CCN(C(=O)C4CCCCC4(O)C(=O)c4ccc(OC)cc4)CC3)CC2)cc1
InChIInChI=1S/C43H58N2O8/c1-52-34-16-12-32(13-17-34)38(46)42(50)24-5-3-10-36(42)40(48)44-26-20-30(21-27-44)8-7-9-31-22-28-45(29-23-31)41(49)37-11-4-6-25-43(37,51)39(47)33-14-18-35(53-2)19-15-33/h12-19,30-31,36-37,50-51H,3-11,20-29H2,1-2H3
InChIKeyPXQUHWILPBCZFQ-UHFFFAOYSA-N
MW730.94 g/mol
LogP6.26
Rot. Bonds12

About [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone

[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone (PubChem CID 59289855) has the molecular formula C43H58N2O8 and a molecular weight of 730.94 g/mol. Its IUPAC name is [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone
PubChem CID59289855
Molecular FormulaC43H58N2O8
Molecular Weight730.94 g/mol
Exact Mass730.42
IUPAC Name[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone
SMILESCOc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCC(CCCC3CCN(C(=O)C4CCCCC4(O)C(=O)c4ccc(OC)cc4)CC3)CC2)cc1
InChIInChI=1S/C43H58N2O8/c1-52-34-16-12-32(13-17-34)38(46)42(50)24-5-3-10-36(42)40(48)44-26-20-30(21-27-44)8-7-9-31-22-28-45(29-23-31)41(49)37-11-4-6-25-43(37,51)39(47)33-14-18-35(53-2)19-15-33/h12-19,30-31,36-37,50-51H,3-11,20-29H2,1-2H3
InChIKeyPXQUHWILPBCZFQ-UHFFFAOYSA-N
XLogP6.26
TPSA133.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.94
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone?
The IUPAC name of [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone (CID 59289855) is [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone.
What is the SMILES notation for [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone?
The canonical SMILES for [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone is COc1ccc(C(=O)C2(O)CCCCC2C(=O)N2CCC(CCCC3CCN(C(=O)C4CCCCC4(O)C(=O)c4ccc(OC)cc4)CC3)CC2)cc1.
What is the InChIKey of [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone?
The InChIKey is PXQUHWILPBCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H58N2O8/c1-52-34-16-12-32(13-17-34)38(46)42(50)24-5-3-10-36(42)40(48)44-26-20-30(21-27-44)8-7-9-31-22-28-45(29-23-31)41(49)37-11-4-6-25-43(37,51)39(47)33-14-18-35(53-2)19-15-33/h12-19,30-31,36-37,50-51H,3-11,20-29H2,1-2H3.
What are the key properties of [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone?
[4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone has a molecular weight of 730.94 g/mol, XLogP of 6.26, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[1-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexanecarbonyl]piperidin-4-yl]propyl]piperidin-1-yl]-[2-hydroxy-2-(4-methoxybenzoyl)cyclohexyl]methanone is sourced from PubChem (CID 59289855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).