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

C22H29ClN4O3 — CID 22430341

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
SMILESCOc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C22H29ClN4O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-10-24-22(28)25-20-16-17(23)4-9-21(20)30-2/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28)
InChIKeyWQBUWDVPHOKJOL-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.69
Rot. Bonds8

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

1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea (PubChem CID 22430341) has the molecular formula C22H29ClN4O3 and a molecular weight of 432.95 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
PubChem CID22430341
Molecular FormulaC22H29ClN4O3
Molecular Weight432.95 g/mol
Exact Mass432.19
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
SMILESCOc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C22H29ClN4O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-10-24-22(28)25-20-16-17(23)4-9-21(20)30-2/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28)
InChIKeyWQBUWDVPHOKJOL-UHFFFAOYSA-N
XLogP3.69
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390322
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
1-butyl-3-[5-tert-butyl-2-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]phenyl]urea
CID 22911241
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
(E)-3-(4-chlorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]prop-2-enamide
CID 39993399
2-(2,4-dichlorophenoxy)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266468
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
CID 1258258

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea (CID 22430341) is 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea is COc1ccc(N2CCN(CCCNC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea?
The InChIKey is WQBUWDVPHOKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O3/c1-29-19-7-5-18(6-8-19)27-14-12-26(13-15-27)11-3-10-24-22(28)25-20-16-17(23)4-9-21(20)30-2/h4-9,16H,3,10-15H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea has a molecular weight of 432.95 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea is sourced from PubChem (CID 22430341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).