1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea

C23H31N3O2 — CID 23609182

IUPAC1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-17-4-7-20(8-5-17)16-26-12-10-19(11-13-26)15-24-23(27)25-21-14-18(2)6-9-22(21)28-3/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,24,25,27)
InChIKeyVYSTXXPDBVVPBM-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.35
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea

1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 23609182) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
PubChem CID23609182
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
SMILESCOc1ccc(C)cc1NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-17-4-7-20(8-5-17)16-26-12-10-19(11-13-26)15-24-23(27)25-21-14-18(2)6-9-22(21)28-3/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,24,25,27)
InChIKeyVYSTXXPDBVVPBM-UHFFFAOYSA-N
XLogP4.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
1-[(4-chlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 45015995
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-(2,4-dimethylphenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609275
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
1-[(4-bromophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 43921527
1-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]-3-(2-methylphenyl)urea
CID 23609271

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea (CID 23609182) is 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea is COc1ccc(C)cc1NC(=O)NCC1CCN(Cc2ccc(C)cc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is VYSTXXPDBVVPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-4-7-20(8-5-17)16-26-12-10-19(11-13-26)15-24-23(27)25-21-14-18(2)6-9-22(21)28-3/h4-9,14,19H,10-13,15-16H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea?
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 381.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 23609182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).