3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea

C14H19Cl2N3O — CID 63636758

IUPAC3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-19(11-4-3-7-17-9-11)14(20)18-13-8-10(15)5-6-12(13)16/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyLZYAJZKTWBTIEG-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.60
Rot. Bonds3

About 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea

3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea (PubChem CID 63636758) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
PubChem CID63636758
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-2-19(11-4-3-7-17-9-11)14(20)18-13-8-10(15)5-6-12(13)16/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyLZYAJZKTWBTIEG-UHFFFAOYSA-N
XLogP3.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea 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-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
CID 79113332
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
CID 63637628
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 63643002

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea (CID 63636758) is 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea is CCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCCNC1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea?
The InChIKey is LZYAJZKTWBTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-2-19(11-4-3-7-17-9-11)14(20)18-13-8-10(15)5-6-12(13)16/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,18,20).
What are the key properties of 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea?
3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea has a molecular weight of 316.23 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea is sourced from PubChem (CID 63636758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).