1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea

C20H33N3O2 — CID 86973220

IUPAC1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC1CC(C)CN(CCCNC(=O)NCCCc2ccc(O)cc2)C1
InChIInChI=1S/C20H33N3O2/c1-16-13-17(2)15-23(14-16)12-4-11-22-20(25)21-10-3-5-18-6-8-19(24)9-7-18/h6-9,16-17,24H,3-5,10-15H2,1-2H3,(H2,21,22,25)
InChIKeySIEAMGCYZSXRJZ-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.99
Rot. Bonds8

About 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea

1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea (PubChem CID 86973220) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea
PubChem CID86973220
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea
SMILESCC1CC(C)CN(CCCNC(=O)NCCCc2ccc(O)cc2)C1
InChIInChI=1S/C20H33N3O2/c1-16-13-17(2)15-23(14-16)12-4-11-22-20(25)21-10-3-5-18-6-8-19(24)9-7-18/h6-9,16-17,24H,3-5,10-15H2,1-2H3,(H2,21,22,25)
InChIKeySIEAMGCYZSXRJZ-UHFFFAOYSA-N
XLogP2.99
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3,5-dimethylpiperidin-1-yl)butyl]phenol
CID 82188002
1-[(4-chlorophenyl)methyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 55767047
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618524
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438194
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 47038651
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The IUPAC name of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea (CID 86973220) is 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The canonical SMILES for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea is CC1CC(C)CN(CCCNC(=O)NCCCc2ccc(O)cc2)C1.
What is the InChIKey of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
The InChIKey is SIEAMGCYZSXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-13-17(2)15-23(14-16)12-4-11-22-20(25)21-10-3-5-18-6-8-19(24)9-7-18/h6-9,16-17,24H,3-5,10-15H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea?
1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-[3-(4-hydroxyphenyl)propyl]urea is sourced from PubChem (CID 86973220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).