[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea

C19H30N4O2 — CID 120741607

IUPAC[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
SMILESCCCCC(NC(N)=O)C(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C19H30N4O2/c1-3-5-6-16(22-19(20)25)18(24)23-12-11-21-13-17(23)15-9-7-14(4-2)8-10-15/h7-10,16-17,21H,3-6,11-13H2,1-2H3,(H3,20,22,25)
InChIKeyHQAZRMTVSFPBET-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.95
Rot. Bonds7

About [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea

[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea (PubChem CID 120741607) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea.

Molecular Properties

Compound Name[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
PubChem CID120741607
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
SMILESCCCCC(NC(N)=O)C(=O)N1CCNCC1c1ccc(CC)cc1
InChIInChI=1S/C19H30N4O2/c1-3-5-6-16(22-19(20)25)18(24)23-12-11-21-13-17(23)15-9-7-14(4-2)8-10-15/h7-10,16-17,21H,3-6,11-13H2,1-2H3,(H3,20,22,25)
InChIKeyHQAZRMTVSFPBET-UHFFFAOYSA-N
XLogP1.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea
CID 120732477
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120741416
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 120739982
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 120740327
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
2-butoxy-1-[2-(4-ethylphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120740942
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 120741375
4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea?
The IUPAC name of [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea (CID 120741607) is [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea.
What is the SMILES notation for [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea?
The canonical SMILES for [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea is CCCCC(NC(N)=O)C(=O)N1CCNCC1c1ccc(CC)cc1.
What is the InChIKey of [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea?
The InChIKey is HQAZRMTVSFPBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-5-6-16(22-19(20)25)18(24)23-12-11-21-13-17(23)15-9-7-14(4-2)8-10-15/h7-10,16-17,21H,3-6,11-13H2,1-2H3,(H3,20,22,25).
What are the key properties of [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea?
[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea is sourced from PubChem (CID 120741607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).