3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea

C22H27F2N3O2 — CID 20908214

IUPAC3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
SMILESCCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C22H27F2N3O2/c1-3-26-11-9-18(10-12-26)27(15-16-5-4-6-19(13-16)29-2)22(28)25-21-14-17(23)7-8-20(21)24/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,28)
InChIKeyJZFJHQQVOWTMMM-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.49
Rot. Bonds6

About 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea

3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea (PubChem CID 20908214) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
PubChem CID20908214
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
SMILESCCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C22H27F2N3O2/c1-3-26-11-9-18(10-12-26)27(15-16-5-4-6-19(13-16)29-2)22(28)25-21-14-17(23)7-8-20(21)24/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,28)
InChIKeyJZFJHQQVOWTMMM-UHFFFAOYSA-N
XLogP4.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,3-dimethylphenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 20908251
3-(2-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]urea
CID 6625876
1-(1-benzylpiperidin-4-yl)-3-(3-fluorophenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703390
N-(2,4-difluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43923139
1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42703394
1-benzyl-1-cyclopropyl-3-(2-fluoro-5-methylphenyl)urea
CID 86987326
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(2-chloro-5-methoxyphenyl)urea
CID 140907556
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
1-cyclopropyl-1-[(3-methoxyphenyl)methyl]-3-[(2S)-2-pyrrolidin-1-ylpropyl]urea
CID 125437502
N-(2,5-difluorophenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35228132

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea (CID 20908214) is 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea is CCN1CCC(N(Cc2cccc(OC)c2)C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea?
The InChIKey is JZFJHQQVOWTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-3-26-11-9-18(10-12-26)27(15-16-5-4-6-19(13-16)29-2)22(28)25-21-14-17(23)7-8-20(21)24/h4-8,13-14,18H,3,9-12,15H2,1-2H3,(H,25,28).
What are the key properties of 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea?
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea has a molecular weight of 403.47 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 20908214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).