1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea

C23H32N4O2 — CID 5308005

IUPAC1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-18-5-6-19(2)22(17-18)27-15-13-26(14-16-27)12-4-11-24-23(28)25-20-7-9-21(29-3)10-8-20/h5-10,17H,4,11-16H2,1-3H3,(H2,24,25,28)
InChIKeyOYPLCWQTVBUWTM-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.65
Rot. Bonds7

About 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea

1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea (PubChem CID 5308005) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea
PubChem CID5308005
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C23H32N4O2/c1-18-5-6-19(2)22(17-18)27-15-13-26(14-16-27)12-4-11-24-23(28)25-20-7-9-21(29-3)10-8-20/h5-10,17H,4,11-16H2,1-3H3,(H2,24,25,28)
InChIKeyOYPLCWQTVBUWTM-UHFFFAOYSA-N
XLogP3.65
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
1-(P-Anisyl)-3-benzylurea
CID 2822852
3-(P-Anisyl)-1,1-dibenzylurea
CID 3717527
1-(1-Benzyl-propyl)-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 11760541
1-[3-Methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(4-phenoxyphenyl)urea
CID 71625828
[4-[[4-(3-Methylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184988
[4-[[4-(2,3-Dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] sulfamate
CID 122184989
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 863795
N-(4-methoxyphenyl)-2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetamide
CID 1094956
4-(4-methoxyphenyl)-N-(4-methylbenzyl)-1-piperazinecarbothioamide
CID 2211141

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea (CID 5308005) is 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea?
The InChIKey is OYPLCWQTVBUWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18-5-6-19(2)22(17-18)27-15-13-26(14-16-27)12-4-11-24-23(28)25-20-7-9-21(29-3)10-8-20/h5-10,17H,4,11-16H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea?
1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea has a molecular weight of 396.54 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 5308005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).