3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea

C16H23Cl2N3O2 — CID 88868027

IUPAC3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
SMILESCON(C(=O)NC(C)c1cccc(Cl)c1Cl)C1CCN(C)CC1
InChIInChI=1S/C16H23Cl2N3O2/c1-11(13-5-4-6-14(17)15(13)18)19-16(22)21(23-3)12-7-9-20(2)10-8-12/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyLOGVOMIFBITGAA-UHFFFAOYSA-N
MW360.29 g/mol
LogP3.72
Rot. Bonds4

About 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea

3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea (PubChem CID 88868027) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
PubChem CID88868027
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
SMILESCON(C(=O)NC(C)c1cccc(Cl)c1Cl)C1CCN(C)CC1
InChIInChI=1S/C16H23Cl2N3O2/c1-11(13-5-4-6-14(17)15(13)18)19-16(22)21(23-3)12-7-9-20(2)10-8-12/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyLOGVOMIFBITGAA-UHFFFAOYSA-N
XLogP3.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[1-(4-methoxynaphthalen-1-yl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 72673296
3-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653331
1-benzyl-3-[1-(2,3-dichlorophenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea;N-benzyl-1-methylpiperidin-4-amine;1-(2,3-dichlorophenyl)ethanamine
CID 159904542
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 70653571
3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(cyclohexylmethyl)-1-(1-methylpiperidin-4-yl)urea
CID 70653329
3-[1-[2,3-dichloro-4-(difluoromethyl)phenyl]ethyl]-1-hydroxy-1-(1-methylpiperidin-4-yl)urea
CID 118354097
1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea
CID 126763051
3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653454
3-[1-[2,3-dichloro-4-(3-cyanophenyl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354119
3-[1-[2,3-dichloro-4-[(E)-2-thiophen-2-ylethenyl]phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354332
3-[1-[2,3-dichloro-4-(2-thiophen-2-ylethenyl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 123726490
3-[1-[2,3-dichloro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 118354474

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea (CID 88868027) is 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea is CON(C(=O)NC(C)c1cccc(Cl)c1Cl)C1CCN(C)CC1.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is LOGVOMIFBITGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-11(13-5-4-6-14(17)15(13)18)19-16(22)21(23-3)12-7-9-20(2)10-8-12/h4-6,11-12H,7-10H2,1-3H3,(H,19,22).
What are the key properties of 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea?
3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 360.29 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 88868027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).