1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea

C20H27N3O2S — CID 20908163

IUPAC1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-22-12-10-16(11-13-22)23(15-17-7-6-14-26-17)20(24)21-18-8-4-5-9-19(18)25-2/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24)
InChIKeyQBIQRQWWLRVDEM-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.28
Rot. Bonds6

About 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea

1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 20908163) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID20908163
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea
SMILESCCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C20H27N3O2S/c1-3-22-12-10-16(11-13-22)23(15-17-7-6-14-26-17)20(24)21-18-8-4-5-9-19(18)25-2/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24)
InChIKeyQBIQRQWWLRVDEM-UHFFFAOYSA-N
XLogP4.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpiperidin-4-yl)-3-(4-methylphenyl)-1-(thiophen-2-ylmethyl)urea
CID 20908177
3-(2,3-dimethoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610813
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
1-cyclopropyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophen-2-ylmethyl)urea
CID 86999745
2-[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5243568
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
N-(2-methoxyphenyl)-3-thiophen-2-ylpropanamide
CID 17423672
methyl 3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-4-fluorobenzoate
CID 78879191
methyl 2-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196523
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea (CID 20908163) is 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea is CCN1CCC(N(Cc2cccs2)C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is QBIQRQWWLRVDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-22-12-10-16(11-13-22)23(15-17-7-6-14-26-17)20(24)21-18-8-4-5-9-19(18)25-2/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea?
1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 373.52 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 20908163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).