1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea

C14H19Cl2N3O — CID 107654303

IUPAC1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea
SMILESCC1(CNC(=O)Nc2cc(Cl)cc(Cl)c2)CCCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-14(3-2-4-17-8-14)9-18-13(20)19-12-6-10(15)5-11(16)7-12/h5-7,17H,2-4,8-9H2,1H3,(H2,18,19,20)
InChIKeyDUPHIZNGBNZHTQ-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.50
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea

1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea (PubChem CID 107654303) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea
PubChem CID107654303
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea
SMILESCC1(CNC(=O)Nc2cc(Cl)cc(Cl)c2)CCCNC1
InChIInChI=1S/C14H19Cl2N3O/c1-14(3-2-4-17-8-14)9-18-13(20)19-12-6-10(15)5-11(16)7-12/h5-7,17H,2-4,8-9H2,1H3,(H2,18,19,20)
InChIKeyDUPHIZNGBNZHTQ-UHFFFAOYSA-N
XLogP3.50
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 128747490
1-(3,5-dichlorophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 103719568
5-chloro-N-[(3-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 113400496
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
CID 107654302
1-[[(3,5-dichlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312361
1-(3,5-dichlorophenyl)-3-(2-oxo-2-piperazin-1-ylethyl)urea
CID 107654016
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]thiophene-3-carboxamide
CID 113412084
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
2,3-dihydroxy-N-[(3-methylpiperidin-3-yl)methyl]benzamide
CID 114345124
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea (CID 107654303) is 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea is CC1(CNC(=O)Nc2cc(Cl)cc(Cl)c2)CCCNC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea?
The InChIKey is DUPHIZNGBNZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-14(3-2-4-17-8-14)9-18-13(20)19-12-6-10(15)5-11(16)7-12/h5-7,17H,2-4,8-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea?
1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea has a molecular weight of 316.23 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(3-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 107654303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).