1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

C21H26ClN3O2 — CID 112970683

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2ccc(NC(=O)NCCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16-10-13-25(14-11-16)18-8-6-17(7-9-18)24-21(26)23-12-15-27-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26)
InChIKeyNKKYYPYPOQWYJW-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.78
Rot. Bonds6

About 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea

1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 112970683) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID112970683
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2ccc(NC(=O)NCCOc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H26ClN3O2/c1-16-10-13-25(14-11-16)18-8-6-17(7-9-18)24-21(26)23-12-15-27-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26)
InChIKeyNKKYYPYPOQWYJW-UHFFFAOYSA-N
XLogP4.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]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-(3-methoxypropyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108988147
1-[2-(3-ethoxyphenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 112973086
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
2-chloro-N-[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]benzamide
CID 9033716
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108882485
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
3-(2-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 108802305
3-(2-chlorophenoxy)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 108811059
1-(3-chloro-4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991943

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea (CID 112970683) is 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is CC1CCN(c2ccc(NC(=O)NCCOc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is NKKYYPYPOQWYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16-10-13-25(14-11-16)18-8-6-17(7-9-18)24-21(26)23-12-15-27-20-5-3-2-4-19(20)22/h2-9,16H,10-15H2,1H3,(H2,23,24,26).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea?
1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 387.91 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 112970683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).