1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

C25H33N3O3 — CID 51134750

IUPAC1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCCOc1ccccc1CCC(=O)N1CCCC(CNC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C25H33N3O3/c1-3-31-23-9-5-4-8-21(23)12-15-24(29)28-16-6-7-20(18-28)17-26-25(30)27-22-13-10-19(2)11-14-22/h4-5,8-11,13-14,20H,3,6-7,12,15-18H2,1-2H3,(H2,26,27,30)
InChIKeyVDZWGXYKTFULFS-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.39
Rot. Bonds8

About 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea

1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (PubChem CID 51134750) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
PubChem CID51134750
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
SMILESCCOc1ccccc1CCC(=O)N1CCCC(CNC(=O)Nc2ccc(C)cc2)C1
InChIInChI=1S/C25H33N3O3/c1-3-31-23-9-5-4-8-21(23)12-15-24(29)28-16-6-7-20(18-28)17-26-25(30)27-22-13-10-19(2)11-14-22/h4-5,8-11,13-14,20H,3,6-7,12,15-18H2,1-2H3,(H2,26,27,30)
InChIKeyVDZWGXYKTFULFS-UHFFFAOYSA-N
XLogP4.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403578
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
1-[[1-[5-(4-methoxyphenyl)-5-oxopentanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 56508782
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 131900813
1-(4-methylphenyl)-3-[[1-(piperidine-4-carbonyl)piperidin-3-yl]methyl]urea
CID 119310828
1-(4-acetyl-1,4-diazepan-1-yl)-3-(2-ethoxyphenyl)propan-1-one
CID 134061684
1-[[(3R)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 52871794
1-(4-methylphenyl)-3-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]urea
CID 52523350
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(2-ethoxyphenyl)propan-1-one
CID 121197452
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidine-1-carboxamide
CID 166183005
2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8749262
1-(4-methylphenyl)-3-[[(3R)-1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]urea
CID 52513508

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea (CID 51134750) is 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is CCOc1ccccc1CCC(=O)N1CCCC(CNC(=O)Nc2ccc(C)cc2)C1.
What is the InChIKey of 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
The InChIKey is VDZWGXYKTFULFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-31-23-9-5-4-8-21(23)12-15-24(29)28-16-6-7-20(18-28)17-26-25(30)27-22-13-10-19(2)11-14-22/h4-5,8-11,13-14,20H,3,6-7,12,15-18H2,1-2H3,(H2,26,27,30).
What are the key properties of 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea?
1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea has a molecular weight of 423.56 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[3-(2-ethoxyphenyl)propanoyl]piperidin-3-yl]methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51134750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).