[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C28H42N4O4 — CID 11755650

IUPAC[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2ccc(CN3CCCC(C(=O)N4CCOCC4)C3)cc2)C1)N1CCOCC1
InChIInChI=1S/C28H42N4O4/c33-27(31-11-15-35-16-12-31)25-3-1-9-29(21-25)19-23-5-7-24(8-6-23)20-30-10-2-4-26(22-30)28(34)32-13-17-36-18-14-32/h5-8,25-26H,1-4,9-22H2
InChIKeyWIEBFBXOXFEDFT-UHFFFAOYSA-N
MW498.67 g/mol
LogP1.83
Rot. Bonds6

About [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 11755650) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID11755650
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Name[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2ccc(CN3CCCC(C(=O)N4CCOCC4)C3)cc2)C1)N1CCOCC1
InChIInChI=1S/C28H42N4O4/c33-27(31-11-15-35-16-12-31)25-3-1-9-29(21-25)19-23-5-7-24(8-6-23)20-30-10-2-4-26(22-30)28(34)32-13-17-36-18-14-32/h5-8,25-26H,1-4,9-22H2
InChIKeyWIEBFBXOXFEDFT-UHFFFAOYSA-N
XLogP1.83
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 11755650) is [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(Cc2ccc(CN3CCCC(C(=O)N4CCOCC4)C3)cc2)C1)N1CCOCC1.
What is the InChIKey of [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WIEBFBXOXFEDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c33-27(31-11-15-35-16-12-31)25-3-1-9-29(21-25)19-23-5-7-24(8-6-23)20-30-10-2-4-26(22-30)28(34)32-13-17-36-18-14-32/h5-8,25-26H,1-4,9-22H2.
What are the key properties of [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 498.67 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11755650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).