1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

C23H31N3O2 — CID 78832230

IUPAC1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-13-26-14-11-20(12-15-26)24-23(27)25-21-9-10-22(28-2)19(17-21)16-18-7-5-4-6-8-18/h4-10,17,20H,3,11-16H2,1-2H3,(H2,24,25,27)
InChIKeyHDZOQWFESYVBFN-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.28
Rot. Bonds7

About 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea

1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 78832230) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID78832230
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1
InChIInChI=1S/C23H31N3O2/c1-3-13-26-14-11-20(12-15-26)24-23(27)25-21-9-10-22(28-2)19(17-21)16-18-7-5-4-6-8-18/h4-10,17,20H,3,11-16H2,1-2H3,(H2,24,25,27)
InChIKeyHDZOQWFESYVBFN-UHFFFAOYSA-N
XLogP4.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825822
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
2-(5-acetyl-2-methoxyphenyl)-N-(1-propylpiperidin-4-yl)acetamide
CID 78809941
1-(3-benzyl-4-methoxyphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 110891041
N-(3-benzyl-4-methoxyphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55759678
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
oxo-[4-[(1-propylpiperidin-4-yl)carbamoylamino]phenyl]azanium
CID 140907563
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
3-[benzyl(methyl)sulfamoyl]-4-methoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 55387091
4-[(2-methoxyphenyl)methyl]-N-(1-propylpiperidin-4-yl)piperazine-1-carboxamide
CID 121498652
3-amino-N-(3-benzyl-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 119696247
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea (CID 78832230) is 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is HDZOQWFESYVBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-3-13-26-14-11-20(12-15-26)24-23(27)25-21-9-10-22(28-2)19(17-21)16-18-7-5-4-6-8-18/h4-10,17,20H,3,11-16H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea?
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 381.52 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 78832230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).