1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone

C23H29N3O2 — CID 110411980

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(18-20-6-8-22(9-7-20)25-14-16-28-17-15-25)26-12-10-24(11-13-26)19-21-4-2-1-3-5-21/h1-9H,10-19H2
InChIKeyFLNFMQXLVRDAOB-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone (PubChem CID 110411980) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
PubChem CID110411980
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c27-23(18-20-6-8-22(9-7-20)25-14-16-28-17-15-25)26-12-10-24(11-13-26)19-21-4-2-1-3-5-21/h1-9H,10-19H2
InChIKeyFLNFMQXLVRDAOB-UHFFFAOYSA-N
XLogP2.41
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
2-(4-chlorophenyl)-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethanone
CID 113079110
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
CID 110675153
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-morpholin-4-ylpyridazin-3-one
CID 52901373

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone (CID 110411980) is 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone is O=C(Cc1ccc(N2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone?
The InChIKey is FLNFMQXLVRDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(18-20-6-8-22(9-7-20)25-14-16-28-17-15-25)26-12-10-24(11-13-26)19-21-4-2-1-3-5-21/h1-9H,10-19H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone has a molecular weight of 379.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 110411980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).