3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C25H30N2O3 — CID 26329389

IUPAC3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCN(Cc2cccc3c2oc2ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C25H30N2O3/c28-24(27-14-16-29-17-15-27)9-8-19-10-12-26(13-11-19)18-20-4-3-6-22-21-5-1-2-7-23(21)30-25(20)22/h1-7,19H,8-18H2
InChIKeyOZPVZXBFQFPBNF-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.44
Rot. Bonds5

About 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 26329389) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID26329389
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCC1CCN(Cc2cccc3c2oc2ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C25H30N2O3/c28-24(27-14-16-29-17-15-27)9-8-19-10-12-26(13-11-19)18-20-4-3-6-22-21-5-1-2-7-23(21)30-25(20)22/h1-7,19H,8-18H2
InChIKeyOZPVZXBFQFPBNF-UHFFFAOYSA-N
XLogP4.44
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyrrolidin-1-yl-3-[1-(quinolin-5-ylmethyl)piperidin-4-yl]propan-1-one
CID 42521399
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
3-cyclopentyl-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 796434
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
[5-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 131914559
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanoic acid
CID 65062691
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 77097205
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
morpholin-4-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 31695814

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 26329389) is 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCC1CCN(Cc2cccc3c2oc2ccccc23)CC1)N1CCOCC1.
What is the InChIKey of 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is OZPVZXBFQFPBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-24(27-14-16-29-17-15-27)9-8-19-10-12-26(13-11-19)18-20-4-3-6-22-21-5-1-2-7-23(21)30-25(20)22/h1-7,19H,8-18H2.
What are the key properties of 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 406.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 26329389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).