1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea

C20H24N4O2 — CID 110368197

IUPAC1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
SMILESCC(=O)N1CCN(c2cccc(NC(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-9-5-8-18(14-19)22-20(26)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H2,21,22,26)
InChIKeyMZQPUNZVVSVKMA-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.68
Rot. Bonds4

About 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea

1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea (PubChem CID 110368197) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea.

Molecular Properties

Compound Name1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
PubChem CID110368197
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea
SMILESCC(=O)N1CCN(c2cccc(NC(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-9-5-8-18(14-19)22-20(26)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H2,21,22,26)
InChIKeyMZQPUNZVVSVKMA-UHFFFAOYSA-N
XLogP2.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-[3-(benzylcarbamoylamino)phenyl]-2-methylpropanamide
CID 38884339
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-[(3S)-hex-5-en-3-yl]urea
CID 129480794
N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110368212
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
N-(3-acetylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949450
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837498
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 86837888

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea?
The IUPAC name of 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea (CID 110368197) is 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea.
What is the SMILES notation for 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea?
The canonical SMILES for 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea is CC(=O)N1CCN(c2cccc(NC(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea?
The InChIKey is MZQPUNZVVSVKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-16(25)23-10-12-24(13-11-23)19-9-5-8-18(14-19)22-20(26)21-15-17-6-3-2-4-7-17/h2-9,14H,10-13,15H2,1H3,(H2,21,22,26).
What are the key properties of 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea?
1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea has a molecular weight of 352.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-acetylpiperazin-1-yl)phenyl]-3-benzylurea is sourced from PubChem (CID 110368197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).