1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea

C21H27N3O3 — CID 6465840

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-9-19(20(14-18)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25)
InChIKeyVBADJXNDTCDGBR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.49
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea (PubChem CID 6465840) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea
PubChem CID6465840
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-9-19(20(14-18)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25)
InChIKeyVBADJXNDTCDGBR-UHFFFAOYSA-N
XLogP3.49
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea (CID 6465840) is 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea?
The InChIKey is VBADJXNDTCDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-8-9-19(20(14-18)27-2)23-21(25)22-17-10-12-24(13-11-17)15-16-6-4-3-5-7-16/h3-9,14,17H,10-13,15H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea has a molecular weight of 369.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea is sourced from PubChem (CID 6465840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).