1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea

C14H19Cl2N3O — CID 47349344

IUPAC1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N3O/c1-2-19-7-3-4-11(9-19)18-14(20)17-10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,17,18,20)
InChIKeyWBRWGWKZGUGRLC-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.60
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea

1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea (PubChem CID 47349344) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
PubChem CID47349344
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea
SMILESCCN1CCCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H19Cl2N3O/c1-2-19-7-3-4-11(9-19)18-14(20)17-10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,17,18,20)
InChIKeyWBRWGWKZGUGRLC-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

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Related Compounds

N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-[4-(cyclopentylsulfamoyl)phenyl]-3-(1-ethylpiperidin-3-yl)urea
CID 119045061
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
(3R)-N-(3,4-dichlorophenyl)-4-[(1-ethylpiperidin-3-yl)methyl]-3-methylpiperazine-1-carboxamide
CID 11531706
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[(3R)-1-ethylpiperidin-3-yl]urea
CID 166301606
1-(3-chloro-4-methoxyphenyl)-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]urea
CID 131892413
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea (CID 47349344) is 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea is CCN1CCCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea?
The InChIKey is WBRWGWKZGUGRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-2-19-7-3-4-11(9-19)18-14(20)17-10-5-6-12(15)13(16)8-10/h5-6,8,11H,2-4,7,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea?
1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea 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 1-(3,4-dichlorophenyl)-3-(1-ethylpiperidin-3-yl)urea is sourced from PubChem (CID 47349344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).