1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one

C25H32N2O2 — CID 45182450

IUPAC1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1)N1CCOCC1
InChIInChI=1S/C25H32N2O2/c28-25(27-15-17-29-18-16-27)13-10-21-5-4-14-26(19-21)20-22-8-11-24(12-9-22)23-6-2-1-3-7-23/h1-3,6-9,11-12,21H,4-5,10,13-20H2
InChIKeyWKBGJVYWMXXPEG-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.20
Rot. Bonds6

About 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one

1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one (PubChem CID 45182450) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one
PubChem CID45182450
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one
SMILESO=C(CCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1)N1CCOCC1
InChIInChI=1S/C25H32N2O2/c28-25(27-15-17-29-18-16-27)13-10-21-5-4-14-26(19-21)20-22-8-11-24(12-9-22)23-6-2-1-3-7-23/h1-3,6-9,11-12,21H,4-5,10,13-20H2
InChIKeyWKBGJVYWMXXPEG-UHFFFAOYSA-N
XLogP4.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one (CID 45182450) is 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one is O=C(CCC1CCCN(Cc2ccc(-c3ccccc3)cc2)C1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one?
The InChIKey is WKBGJVYWMXXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-25(27-15-17-29-18-16-27)13-10-21-5-4-14-26(19-21)20-22-8-11-24(12-9-22)23-6-2-1-3-7-23/h1-3,6-9,11-12,21H,4-5,10,13-20H2.
What are the key properties of 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one?
1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one has a molecular weight of 392.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[1-[(4-phenylphenyl)methyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45182450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).