[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone

C23H26N4O4S — CID 5308796

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone
SMILESCn1c(C(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21
InChIInChI=1S/C23H26N4O4S/c1-24-17-6-13-32-20(17)14-18(24)22(29)27-7-2-4-16(15-27)21(28)25-8-10-26(11-9-25)23(30)19-5-3-12-31-19/h3,5-6,12-14,16H,2,4,7-11,15H2,1H3
InChIKeyAJVYLWLDHYCIML-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.67
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 5308796) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID5308796
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone
SMILESCn1c(C(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21
InChIInChI=1S/C23H26N4O4S/c1-24-17-6-13-32-20(17)14-18(24)22(29)27-7-2-4-16(15-27)21(28)25-8-10-26(11-9-25)23(30)19-5-3-12-31-19/h3,5-6,12-14,16H,2,4,7-11,15H2,1H3
InChIKeyAJVYLWLDHYCIML-UHFFFAOYSA-N
XLogP2.67
TPSA79.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[4-(4-chlorobenzyl)-4H-thieno[3,2-b]pyrrol-5-yl]carbonyl}-N-(2-furylmethyl)piperidine-4-carboxamide
CID 3237853
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 654576
4-{2-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-oxo-ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 655865
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 656050
[4-(2-Methoxyphenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
CID 3225224
2,4-Dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 3228588
4-{2-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-oxo-ethyl}-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 646472
4-(2-Oxo-2-phenyl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 646759
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 647733

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone (CID 5308796) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone is Cn1c(C(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cc2sccc21.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is AJVYLWLDHYCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-24-17-6-13-32-20(17)14-18(24)22(29)27-7-2-4-16(15-27)21(28)25-8-10-26(11-9-25)23(30)19-5-3-12-31-19/h3,5-6,12-14,16H,2,4,7-11,15H2,1H3.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 454.55 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 5308796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).