1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea

C24H30N4O2S — CID 86291697

IUPAC1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea
SMILESCCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1
InChIInChI=1S/C24H30N4O2S/c1-2-19-16-21(22-20(26-19)8-15-31-22)27-23(29)25-11-14-28-12-9-24(30,10-13-28)17-18-6-4-3-5-7-18/h3-8,15-16,30H,2,9-14,17H2,1H3,(H2,25,26,27,29)
InChIKeyTWUBDXFVCTXQSQ-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.05
Rot. Bonds7

About 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea

1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea (PubChem CID 86291697) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea.

Molecular Properties

Compound Name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea
PubChem CID86291697
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea
SMILESCCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1
InChIInChI=1S/C24H30N4O2S/c1-2-19-16-21(22-20(26-19)8-15-31-22)27-23(29)25-11-14-28-12-9-24(30,10-13-28)17-18-6-4-3-5-7-18/h3-8,15-16,30H,2,9-14,17H2,1H3,(H2,25,26,27,29)
InChIKeyTWUBDXFVCTXQSQ-UHFFFAOYSA-N
XLogP4.05
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea with MolForge

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Related Compounds

1-[2-[4-Hydroxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86291906
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-methylthieno[3,2-b]pyridin-7-yl)urea
CID 86291696
1-[2-[4-[(2-Bromophenyl)methyl]-4-hydroxypiperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86291904
1-[2-[4-[(3-Bromophenyl)methyl]-4-hydroxypiperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86291905
1-[2-[4-Hydroxy-4-[(3-methylphenyl)methyl]piperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86291907
1-[2-[4-Hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86291908
1-[2-[4-[(4-Fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86292101
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-thieno[3,2-b]pyridin-7-ylurea
CID 86292104
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(2-methylthieno[3,2-b]pyridin-7-yl)urea
CID 86294592
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-thieno[2,3-b]pyridin-4-ylurea
CID 118723012
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(3-bromothieno[3,2-b]pyridin-7-yl)urea
CID 86291694
1-[2-(4-Benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(3-methylthieno[3,2-b]pyridin-7-yl)urea
CID 86291695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea?
The IUPAC name of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea (CID 86291697) is 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea.
What is the SMILES notation for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea?
The canonical SMILES for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea is CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1.
What is the InChIKey of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea?
The InChIKey is TWUBDXFVCTXQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-2-19-16-21(22-20(26-19)8-15-31-22)27-23(29)25-11-14-28-12-9-24(30,10-13-28)17-18-6-4-3-5-7-18/h3-8,15-16,30H,2,9-14,17H2,1H3,(H2,25,26,27,29).
What are the key properties of 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea?
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea has a molecular weight of 438.60 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea is sourced from PubChem (CID 86291697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).