3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea

C21H29N3O4 — CID 20908037

IUPAC3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2ccco2)C(=O)Nc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C21H29N3O4/c1-4-23-11-9-16(10-12-23)24(15-18-6-5-13-28-18)21(25)22-19-8-7-17(26-2)14-20(19)27-3/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,22,25)
InChIKeyCDFRTHASHZGZNB-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.82
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea

3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea (PubChem CID 20908037) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
PubChem CID20908037
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2ccco2)C(=O)Nc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C21H29N3O4/c1-4-23-11-9-16(10-12-23)24(15-18-6-5-13-28-18)21(25)22-19-8-7-17(26-2)14-20(19)27-3/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,22,25)
InChIKeyCDFRTHASHZGZNB-UHFFFAOYSA-N
XLogP3.82
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)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

1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 24730796
1-(anthracen-9-ylmethyl)-3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)urea
CID 42697710
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908163
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
3-(2,5-difluorophenyl)-1-(1-ethylpiperidin-4-yl)-1-[(3-methoxyphenyl)methyl]urea
CID 20908214
1-(1-acetylpiperidin-4-yl)-3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)urea
CID 20908002
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)urea
CID 39977410

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea (CID 20908037) is 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea is CCN1CCC(N(Cc2ccco2)C(=O)Nc2ccc(OC)cc2OC)CC1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea?
The InChIKey is CDFRTHASHZGZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-23-11-9-16(10-12-23)24(15-18-6-5-13-28-18)21(25)22-19-8-7-17(26-2)14-20(19)27-3/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,22,25).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea?
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea has a molecular weight of 387.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 20908037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).