3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea

C14H19Cl2N3O — CID 79720369

IUPAC3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
SMILESCN(CC1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-19(9-10-4-6-17-7-5-10)14(20)18-11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyNTUOPXDBJVFNHA-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.46
Rot. Bonds3

About 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea

3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea (PubChem CID 79720369) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
PubChem CID79720369
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea
SMILESCN(CC1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O/c1-19(9-10-4-6-17-7-5-10)14(20)18-11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20)
InChIKeyNTUOPXDBJVFNHA-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607288
3-(3-chloro-4-methoxyphenyl)-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914983
3-(4-fluorophenyl)-1-methyl-1-(2-piperidin-4-ylethyl)urea
CID 60913033
3-(3,4-dichlorophenyl)-1-methyl-1-(methylsulfanylmethyl)urea
CID 21414071
3-(3,4-dichlorophenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47278262
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119682947
1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
3-(3,4-dichlorophenyl)-1-(3-hydroxypropyl)-1-methylurea
CID 114230641
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
CID 119718978
3-(3,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-methylurea
CID 90635868

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea (CID 79720369) is 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea is CN(CC1CCNCC1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea?
The InChIKey is NTUOPXDBJVFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19(9-10-4-6-17-7-5-10)14(20)18-11-2-3-12(15)13(16)8-11/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,20).
What are the key properties of 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea?
3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea has a molecular weight of 316.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methyl-1-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 79720369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).