1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea

C21H27ClN4O2 — CID 1258258

IUPAC1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C
InChIInChI=1S/C21H27ClN4O2/c1-16-3-6-18(15-20(16)28-2)24-21(27)23-9-10-25-11-13-26(14-12-25)19-7-4-17(22)5-8-19/h3-8,15H,9-14H2,1-2H3,(H2,23,24,27)
InChIKeyLSYYZRIAKZKIKA-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.60
Rot. Bonds6

About 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea

1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea (PubChem CID 1258258) has the molecular formula C21H27ClN4O2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
PubChem CID1258258
Molecular FormulaC21H27ClN4O2
Molecular Weight402.93 g/mol
Exact Mass402.18
IUPAC Name1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C
InChIInChI=1S/C21H27ClN4O2/c1-16-3-6-18(15-20(16)28-2)24-21(27)23-9-10-25-11-13-26(14-12-25)19-7-4-17(22)5-8-19/h3-8,15H,9-14H2,1-2H3,(H2,23,24,27)
InChIKeyLSYYZRIAKZKIKA-UHFFFAOYSA-N
XLogP3.60
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea with MolForge

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Related Compounds

N'-(3-chloro-4-methylphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268579
N'-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268515
N'-(3,4-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268704
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
1-(5-chloro-2-methoxyphenyl)-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 22430341
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
1-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-propylpiperazin-1-yl)phenyl]urea
CID 110620975
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3,5-dimethylbenzamide
CID 42267000
5-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42273491

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea?
The IUPAC name of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea (CID 1258258) is 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea.
What is the SMILES notation for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea?
The canonical SMILES for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea is COc1cc(NC(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)ccc1C.
What is the InChIKey of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea?
The InChIKey is LSYYZRIAKZKIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O2/c1-16-3-6-18(15-20(16)28-2)24-21(27)23-9-10-25-11-13-26(14-12-25)19-7-4-17(22)5-8-19/h3-8,15H,9-14H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea?
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea has a molecular weight of 402.93 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxy-4-methylphenyl)urea is sourced from PubChem (CID 1258258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).