3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea

C20H31N3O4 — CID 108566557

IUPAC3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-5-27-17-8-6-15(14-18(17)26-4)7-9-19(24)23-12-10-16(11-13-23)21-20(25)22(2)3/h6,8,14,16H,5,7,9-13H2,1-4H3,(H,21,25)
InChIKeyQCJLXYANPYTRLP-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.29
Rot. Bonds7

About 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea

3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea (PubChem CID 108566557) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
PubChem CID108566557
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)N(C)C)CC2)cc1OC
InChIInChI=1S/C20H31N3O4/c1-5-27-17-8-6-15(14-18(17)26-4)7-9-19(24)23-12-10-16(11-13-23)21-20(25)22(2)3/h6,8,14,16H,5,7,9-13H2,1-4H3,(H,21,25)
InChIKeyQCJLXYANPYTRLP-UHFFFAOYSA-N
XLogP2.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558860
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566561
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 108557972
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932804
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
CID 108534071
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-3-methylbutanamide
CID 108549572
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea (CID 108566557) is 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea is CCOc1ccc(CCC(=O)N2CCC(NC(=O)N(C)C)CC2)cc1OC.
What is the InChIKey of 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea?
The InChIKey is QCJLXYANPYTRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-5-27-17-8-6-15(14-18(17)26-4)7-9-19(24)23-12-10-16(11-13-23)21-20(25)22(2)3/h6,8,14,16H,5,7,9-13H2,1-4H3,(H,21,25).
What are the key properties of 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea?
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea has a molecular weight of 377.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 108566557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).