[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea

C24H34N4O2 — CID 57123647

IUPAC[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea
SMILESCOc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1NC(N)=O
InChIInChI=1S/C24H34N4O2/c1-19-8-5-6-10-22(19)28-16-14-27(15-17-28)13-7-3-4-9-20-11-12-23(30-2)21(18-20)26-24(25)29/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H3,25,26,29)
InChIKeyNGUQDIUMSTUFAK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.03
Rot. Bonds9

About [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea

[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea (PubChem CID 57123647) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea.

Molecular Properties

Compound Name[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea
PubChem CID57123647
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea
SMILESCOc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1NC(N)=O
InChIInChI=1S/C24H34N4O2/c1-19-8-5-6-10-22(19)28-16-14-27(15-17-28)13-7-3-4-9-20-11-12-23(30-2)21(18-20)26-24(25)29/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H3,25,26,29)
InChIKeyNGUQDIUMSTUFAK-UHFFFAOYSA-N
XLogP4.03
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.03
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

2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
CID 70458167
[5-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanoyl]-2-methylsulfinylphenyl]urea
CID 3063186
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8725618
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
2-methoxy-5-[5-(4-phenylpiperazin-1-yl)pentyl]-N-propylbenzenesulfonamide
CID 70458180
1-(2,5-dimethoxyphenyl)-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]guanidine
CID 111805716
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea?
The IUPAC name of [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea (CID 57123647) is [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea.
What is the SMILES notation for [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea?
The canonical SMILES for [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea is COc1ccc(CCCCCN2CCN(c3ccccc3C)CC2)cc1NC(N)=O.
What is the InChIKey of [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea?
The InChIKey is NGUQDIUMSTUFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19-8-5-6-10-22(19)28-16-14-27(15-17-28)13-7-3-4-9-20-11-12-23(30-2)21(18-20)26-24(25)29/h5-6,8,10-12,18H,3-4,7,9,13-17H2,1-2H3,(H3,25,26,29).
What are the key properties of [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea?
[2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea has a molecular weight of 410.56 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]phenyl]urea is sourced from PubChem (CID 57123647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).