N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide

C22H22N5O2+ — CID 8548338

IUPACN-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H21N5O2/c28-21(15-26-10-12-27(13-11-26)22-23-8-3-9-24-22)25-16-6-7-20-18(14-16)17-4-1-2-5-19(17)29-20/h1-9,14H,10-13,15H2,(H,25,28)/p+1
InChIKeyWQJSYRJXMKBXQL-UHFFFAOYSA-O
MW388.45 g/mol
LogP1.72
Rot. Bonds4

About N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide

N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8548338) has the molecular formula C22H22N5O2+ and a molecular weight of 388.45 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
PubChem CID8548338
Molecular FormulaC22H22N5O2+
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC NameN-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H21N5O2/c28-21(15-26-10-12-27(13-11-26)22-23-8-3-9-24-22)25-16-6-7-20-18(14-16)17-4-1-2-5-19(17)29-20/h1-9,14H,10-13,15H2,(H,25,28)/p+1
InChIKeyWQJSYRJXMKBXQL-UHFFFAOYSA-O
XLogP1.72
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873
N-(3,4-dimethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542754
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-dibenzofuran-2-yl-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8994075
2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9338914
N-(phenylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595607
ethyl (3R)-1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate
CID 8546924
N-dibenzofuran-2-yl-3-methylbutanamide
CID 18082320
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595426
N-[4-(dimethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 5014296
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6958469

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide (CID 8548338) is N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCN(c2ncccn2)CC1)Nc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is WQJSYRJXMKBXQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H21N5O2/c28-21(15-26-10-12-27(13-11-26)22-23-8-3-9-24-22)25-16-6-7-20-18(14-16)17-4-1-2-5-19(17)29-20/h1-9,14H,10-13,15H2,(H,25,28)/p+1.
What are the key properties of N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8548338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).