[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

C30H34N2O3 — CID 44529914

IUPAC[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN3CCOC(c4ccccc4)(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C30H34N2O3/c1-34-28-14-12-25(13-15-28)29(33)32-18-16-24(17-19-32)22-31-20-21-35-30(23-31,26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24H,16-23H2,1H3
InChIKeyAGBXVUVXNSCLPY-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.82
Rot. Bonds6

About [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone

[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 44529914) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID44529914
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(CN3CCOC(c4ccccc4)(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C30H34N2O3/c1-34-28-14-12-25(13-15-28)29(33)32-18-16-24(17-19-32)22-31-20-21-35-30(23-31,26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24H,16-23H2,1H3
InChIKeyAGBXVUVXNSCLPY-UHFFFAOYSA-N
XLogP4.82
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 44529914) is [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(CN3CCOC(c4ccccc4)(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is AGBXVUVXNSCLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-34-28-14-12-25(13-15-28)29(33)32-18-16-24(17-19-32)22-31-20-21-35-30(23-31,26-8-4-2-5-9-26)27-10-6-3-7-11-27/h2-15,24H,16-23H2,1H3.
What are the key properties of [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 470.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-diphenylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 44529914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).