1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea

C22H29N3O3 — CID 52592988

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3/c1-24(16-17-28-19-12-10-18(27-2)11-13-19)22(26)23-20-8-4-5-9-21(20)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)
InChIKeyVKOOGEOCSDXQGJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.23
Rot. Bonds7

About 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea

1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea (PubChem CID 52592988) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
PubChem CID52592988
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
SMILESCOc1ccc(OCCN(C)C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C22H29N3O3/c1-24(16-17-28-19-12-10-18(27-2)11-13-19)22(26)23-20-8-4-5-9-21(20)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26)
InChIKeyVKOOGEOCSDXQGJ-UHFFFAOYSA-N
XLogP4.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea
CID 56567983
2-(4-methoxyphenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 42935521
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 51327229
2-(4-methylphenoxy)-N-[(2-piperidin-1-ylphenyl)carbamothioyl]acetamide
CID 4503314
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
4-hexoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide
CID 4502378
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
2-hydroxy-5-methoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 112809580
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 71876255
2-naphthalen-2-yloxy-N-(2-piperidin-1-ylphenyl)acetamide
CID 2006723
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea (CID 52592988) is 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea is COc1ccc(OCCN(C)C(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
The InChIKey is VKOOGEOCSDXQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-24(16-17-28-19-12-10-18(27-2)11-13-19)22(26)23-20-8-4-5-9-21(20)25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,23,26).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea?
1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea has a molecular weight of 383.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-1-methyl-3-(2-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 52592988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).