1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea

C28H33N3O2 — CID 11026634

IUPAC1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H33N3O2/c1-33-26-12-7-11-25(21-26)29-28(32)30-27-13-6-5-10-24(27)16-19-31-17-14-23(15-18-31)20-22-8-3-2-4-9-22/h2-13,21,23H,14-20H2,1H3,(H2,29,30,32)
InChIKeyRAAYIXGRKXEPIO-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.84
Rot. Bonds8

About 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea

1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea (PubChem CID 11026634) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea
PubChem CID11026634
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C28H33N3O2/c1-33-26-12-7-11-25(21-26)29-28(32)30-27-13-6-5-10-24(27)16-19-31-17-14-23(15-18-31)20-22-8-3-2-4-9-22/h2-13,21,23H,14-20H2,1H3,(H2,29,30,32)
InChIKeyRAAYIXGRKXEPIO-UHFFFAOYSA-N
XLogP5.84
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)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

4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071856
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
N,N-Diethyl-2-{3-[3-(3-methoxy-phenyl)-ureido]-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetamide
CID 10459108
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
US9205085, Msx-205
CID 23656764
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-Adamantan-1-yl-3-[4-fluoro-3-(3-morpholin-4-yl-propoxy)-phenyl]-urea
CID 25014954
1-Adamantyl-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014955
1-(3-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
CID 751698
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
1,1-Dibenzyl-3-(2,5-dimethoxyphenyl)urea
CID 311061

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea (CID 11026634) is 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccccc2CCN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is RAAYIXGRKXEPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-33-26-12-7-11-25(21-26)29-28(32)30-27-13-6-5-10-24(27)16-19-31-17-14-23(15-18-31)20-22-8-3-2-4-9-22/h2-13,21,23H,14-20H2,1H3,(H2,29,30,32).
What are the key properties of 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea?
1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 443.59 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-benzylpiperidin-1-yl)ethyl]phenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 11026634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).