1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

C17H27N3O3 — CID 978126

IUPAC1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-4-9-20-10-7-13(8-11-20)18-17(21)19-14-5-6-15(22-2)16(12-14)23-3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,18,19,21)
InChIKeyYCTWZLPWCSMUNG-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.70
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 978126) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID978126
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H27N3O3/c1-4-9-20-10-7-13(8-11-20)18-17(21)19-14-5-6-15(22-2)16(12-14)23-3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,18,19,21)
InChIKeyYCTWZLPWCSMUNG-UHFFFAOYSA-N
XLogP2.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
1-Cyclohexyl-3-(4-methoxy-phenyl)-urea
CID 3397178
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352
N-[2-(4-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750188
N-{3-[(3-Methoxyphenyl)-methylamino]propyl}acetamide
CID 24750193
N-(4-methoxyphenyl)morpholine-4-carboxamide
CID 321216
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
1,1-Dibutyl-3-(4-methoxyphenyl)urea
CID 3559325
N-(3,4-Dimethoxyphenyl)acetamide
CID 244160
N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 970603
N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 971960

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (CID 978126) is 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is YCTWZLPWCSMUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-9-20-10-7-13(8-11-20)18-17(21)19-14-5-6-15(22-2)16(12-14)23-3/h5-6,12-13H,4,7-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 321.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 978126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).