1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

C21H26ClN3O2 — CID 56519173

IUPAC1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)Nc2ccccc2Oc2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O2/c1-25-14-11-16(12-15-25)10-13-23-21(26)24-18-7-3-5-9-20(18)27-19-8-4-2-6-17(19)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26)
InChIKeyWADQWLMFEBIZBP-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.99
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea

1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (PubChem CID 56519173) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
PubChem CID56519173
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
SMILESCN1CCC(CCNC(=O)Nc2ccccc2Oc2ccccc2Cl)CC1
InChIInChI=1S/C21H26ClN3O2/c1-25-14-11-16(12-15-25)10-13-23-21(26)24-18-7-3-5-9-20(18)27-19-8-4-2-6-17(19)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26)
InChIKeyWADQWLMFEBIZBP-UHFFFAOYSA-N
XLogP4.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenoxy)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 99702543
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519934
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
CID 108888463
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 50822738
N-[2-(2-chlorophenoxy)phenyl]cyclohexanecarboxamide
CID 18279329
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenylacetamide
CID 50875243
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 118772403
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea (CID 56519173) is 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is CN1CCC(CCNC(=O)Nc2ccccc2Oc2ccccc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
The InChIKey is WADQWLMFEBIZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-25-14-11-16(12-15-25)10-13-23-21(26)24-18-7-3-5-9-20(18)27-19-8-4-2-6-17(19)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea?
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea has a molecular weight of 387.91 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea is sourced from PubChem (CID 56519173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).