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

C19H28N4O2 — CID 110369688

IUPAC1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
SMILESCC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(24)22-11-13-23(14-12-22)18-9-7-17(8-10-18)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25)
InChIKeyPZWGHJOFIJEQQR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.81
Rot. Bonds3

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

1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea (PubChem CID 110369688) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
PubChem CID110369688
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea
SMILESCC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1
InChIInChI=1S/C19H28N4O2/c1-15(24)22-11-13-23(14-12-22)18-9-7-17(8-10-18)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25)
InChIKeyPZWGHJOFIJEQQR-UHFFFAOYSA-N
XLogP2.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]urea
CID 112984243
N-(2-chloro-6-methylphenyl)-4-[4-(cyclohexylcarbamoylamino)phenyl]piperazine-1-carboxamide
CID 91221530
N-[4-(4-acetylpiperazin-1-yl)phenyl]acetamide
CID 2889550
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
1-[(3E,5Z)-5-[[1-[4-(4-acetylpiperazin-1-yl)anilino]ethylideneamino]methylidene]-3-fluoro-6-methylhepta-1,3,6-trien-2-yl]-3-cyclohexylurea
CID 142078216
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
1-cyclopropyl-3-[4-(4-formylpiperazin-1-yl)phenyl]urea
CID 112981733
1-(1-acetylpiperidin-4-yl)-3-(4-iodophenyl)urea
CID 47193624
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
1-cyclopropyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]phenyl]urea
CID 112984463
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea?
The IUPAC name of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea (CID 110369688) is 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea?
The canonical SMILES for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea is CC(=O)N1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea?
The InChIKey is PZWGHJOFIJEQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)22-11-13-23(14-12-22)18-9-7-17(8-10-18)21-19(25)20-16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3,(H2,20,21,25).
What are the key properties of 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea?
1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea has a molecular weight of 344.46 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylpiperazin-1-yl)phenyl]-3-cyclohexylurea is sourced from PubChem (CID 110369688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).