3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea

C22H35ClN4O — CID 75393711

IUPAC3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)N(C)C1CCCCC1N(C)C1CCN(C)CC1
InChIInChI=1S/C22H35ClN4O/c1-16-9-10-17(23)15-19(16)24-22(28)27(4)21-8-6-5-7-20(21)26(3)18-11-13-25(2)14-12-18/h9-10,15,18,20-21H,5-8,11-14H2,1-4H3,(H,24,28)
InChIKeyUGZJUICQOFVDAB-UHFFFAOYSA-N
MW407.00 g/mol
LogP4.45
Rot. Bonds4

About 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea

3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea (PubChem CID 75393711) has the molecular formula C22H35ClN4O and a molecular weight of 407.00 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea
PubChem CID75393711
Molecular FormulaC22H35ClN4O
Molecular Weight407.00 g/mol
Exact Mass406.25
IUPAC Name3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea
SMILESCc1ccc(Cl)cc1NC(=O)N(C)C1CCCCC1N(C)C1CCN(C)CC1
InChIInChI=1S/C22H35ClN4O/c1-16-9-10-17(23)15-19(16)24-22(28)27(4)21-8-6-5-7-20(21)26(3)18-11-13-25(2)14-12-18/h9-10,15,18,20-21H,5-8,11-14H2,1-4H3,(H,24,28)
InChIKeyUGZJUICQOFVDAB-UHFFFAOYSA-N
XLogP4.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(5-chloro-2-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503660
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
2-[azetidin-3-yl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 66186447
5-chloro-2-[[cyclohexyl(methyl)carbamoyl]amino]benzoic acid
CID 61189598
(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95349122
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
(4aR,8aR)-N-(5-chloro-2-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944871
1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
CID 47053336
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea (CID 75393711) is 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea is Cc1ccc(Cl)cc1NC(=O)N(C)C1CCCCC1N(C)C1CCN(C)CC1.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea?
The InChIKey is UGZJUICQOFVDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35ClN4O/c1-16-9-10-17(23)15-19(16)24-22(28)27(4)21-8-6-5-7-20(21)26(3)18-11-13-25(2)14-12-18/h9-10,15,18,20-21H,5-8,11-14H2,1-4H3,(H,24,28).
What are the key properties of 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea?
3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea has a molecular weight of 407.00 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexyl]urea is sourced from PubChem (CID 75393711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).