1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea

C22H29N3O3 — CID 118765088

IUPAC1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
SMILESCOCCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C)CC1
InChIInChI=1S/C22H29N3O3/c1-24-14-12-19(13-15-24)25(16-17-27-2)22(26)23-18-8-10-21(11-9-18)28-20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyWBYJQZYOWQHOFH-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.05
Rot. Bonds7

About 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea

1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea (PubChem CID 118765088) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
PubChem CID118765088
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
SMILESCOCCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C)CC1
InChIInChI=1S/C22H29N3O3/c1-24-14-12-19(13-15-24)25(16-17-27-2)22(26)23-18-8-10-21(11-9-18)28-20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyWBYJQZYOWQHOFH-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61452845
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(5-methyl-3-pyridinyl)urea
CID 74248002
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
3-(4-chlorophenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]-1-(2-methoxyethyl)urea
CID 7222566
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
N-cyclopropyl-2-[2-methoxyethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3963579
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-phenoxypyrimidin-5-yl)urea
CID 166280765
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
1-cyclopropyl-1-(4-hydroxybutyl)-3-(4-methoxyphenyl)urea
CID 111430067
1-(3-aminopropyl)-1-cyclopropyl-3-(4-methoxyphenyl)urea
CID 43319501
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea (CID 118765088) is 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea is COCCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCN(C)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
The InChIKey is WBYJQZYOWQHOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-24-14-12-19(13-15-24)25(16-17-27-2)22(26)23-18-8-10-21(11-9-18)28-20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,23,26).
What are the key properties of 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea?
1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea has a molecular weight of 383.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 118765088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).