1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

C23H27N3O2S — CID 3238555

IUPAC1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21
InChIInChI=1S/C23H27N3O2S/c1-25-19-11-14-29-21(19)15-20(25)23(28)26-13-6-10-18(16-26)22(27)24-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14-15,18H,5-6,9-10,12-13,16H2,1H3,(H,24,27)
InChIKeyMRQMPNSHAMNTFG-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.84
Rot. Bonds6

About 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide

1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 3238555) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID3238555
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21
InChIInChI=1S/C23H27N3O2S/c1-25-19-11-14-29-21(19)15-20(25)23(28)26-13-6-10-18(16-26)22(27)24-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14-15,18H,5-6,9-10,12-13,16H2,1H3,(H,24,27)
InChIKeyMRQMPNSHAMNTFG-UHFFFAOYSA-N
XLogP3.84
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide (CID 3238555) is 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is Cn1c(C(=O)N2CCCC(C(=O)NCCCc3ccccc3)C2)cc2sccc21.
What is the InChIKey of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is MRQMPNSHAMNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-25-19-11-14-29-21(19)15-20(25)23(28)26-13-6-10-18(16-26)22(27)24-12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14-15,18H,5-6,9-10,12-13,16H2,1H3,(H,24,27).
What are the key properties of 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide?
1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 3238555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).