1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

C19H25N3O2S — CID 90522886

IUPAC1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)21-19(23)20-10-13-22-11-8-15(9-12-22)18-3-2-14-25-18/h2-7,14-15H,8-13H2,1H3,(H2,20,21,23)
InChIKeyDYKFBYFUHQCRMS-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.76
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea

1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (PubChem CID 90522886) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
PubChem CID90522886
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCN2CCC(c3cccs3)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)21-19(23)20-10-13-22-11-8-15(9-12-22)18-3-2-14-25-18/h2-7,14-15H,8-13H2,1H3,(H2,20,21,23)
InChIKeyDYKFBYFUHQCRMS-UHFFFAOYSA-N
XLogP3.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522900
1-(2,4-dimethoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522902
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732
N'-[(3-methoxyphenyl)methyl]-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522839
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
3-(4-methoxyphenyl)-1-(4-thiophen-2-ylpiperidin-1-yl)propan-1-one
CID 90522107

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea (CID 90522886) is 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is COc1ccc(NC(=O)NCCN2CCC(c3cccs3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is DYKFBYFUHQCRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-17-6-4-16(5-7-17)21-19(23)20-10-13-22-11-8-15(9-12-22)18-3-2-14-25-18/h2-7,14-15H,8-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea?
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 359.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 90522886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).