(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone

C21H24N2OS — CID 3241693

IUPAC(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21
InChIInChI=1S/C21H24N2OS/c1-2-23-18-10-13-25-20(18)15-19(23)21(24)22-11-8-17(9-12-22)14-16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12,14H2,1H3
InChIKeyHMTULJMZKZJJNA-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.82
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone

(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 3241693) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID3241693
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC Name(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone
SMILESCCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21
InChIInChI=1S/C21H24N2OS/c1-2-23-18-10-13-25-20(18)15-19(23)21(24)22-11-8-17(9-12-22)14-16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12,14H2,1H3
InChIKeyHMTULJMZKZJJNA-UHFFFAOYSA-N
XLogP4.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-((3-Aminophenyl)methyl)-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5H-thieno(2',3':4,5)pyrrolo(2,3-d)pyridazin-5-one
CID 44246499
6-(2-fluorobenzyl)-2,4-dimethyl-4,6-dihydro-5H-thieno(2',3':4,5)pyrrolo(2,3-d)pyridazin-5-one
CID 654376
methyl 4-[[4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]cyclohexane-1-carboxylate
CID 124155051
10-[(2-Fluorophenyl)methyl]-7-methyl-4-propan-2-yl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243733
10-[(2-Fluorophenyl)methyl]-7-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraene-4-carbaldehyde
CID 25243739
10-[(2-Fluorophenyl)methyl]-7-methyl-4-methylsulfanyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243740
4,7-Dimethyl-10-pentyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 25243765
3-[(2-Fluorophenyl)methyl]-5-methyl-4-thieno[3,4]pyrrolo[1,3-d]pyrimidinone
CID 25243788
6-(trans-4-(4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxamido)hexanoic acid (41)
CID 124155006
Sodium 6-(trans-4-(4-(2-(ethyl(m-tolyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5carboxamido)cyclohexane-1-carboxamido)hexane-1-sulfonate (43)
CID 124155008
trans-Methyl 4-(4-(2-(ethyl(3-ethylphenyl)amino)-2-oxoethyl)-4H-thieno[3,2-b]pyrrole-5-carboxamido)cyclohexanecarboxylate
CID 124155015
4-(2-(Ethyl(m-tolyl)amino)-2-oxoethyl)-N-(trans-4-((2-hydroxyethyl)carbamoyl)cyclohexyl)-4Hthieno[3,2-b]pyrrole-5-carboxamide (35)
CID 124155019

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone (CID 3241693) is (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone is CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is HMTULJMZKZJJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-2-23-18-10-13-25-20(18)15-19(23)21(24)22-11-8-17(9-12-22)14-16-6-4-3-5-7-16/h3-7,10,13,15,17H,2,8-9,11-12,14H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone?
(4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 352.50 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4-ethylthieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 3241693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).