1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C25H25N3O3S — CID 20940847

IUPAC1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)o1
InChIInChI=1S/C25H25N3O3S/c1-17-6-7-20(31-17)16-26-24(29)19-10-13-27(14-11-19)25(30)22-8-9-23(32-22)28-15-12-18-4-2-3-5-21(18)28/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyWAQJIJVKNMJCSU-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.76
Rot. Bonds5

About 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 20940847) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID20940847
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)o1
InChIInChI=1S/C25H25N3O3S/c1-17-6-7-20(31-17)16-26-24(29)19-10-13-27(14-11-19)25(30)22-8-9-23(32-22)28-15-12-18-4-2-3-5-21(18)28/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyWAQJIJVKNMJCSU-UHFFFAOYSA-N
XLogP4.76
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 20940847) is 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(-n4ccc5ccccc54)s3)CC2)o1.
What is the InChIKey of 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WAQJIJVKNMJCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-6-7-20(31-17)16-26-24(29)19-10-13-27(14-11-19)25(30)22-8-9-23(32-22)28-15-12-18-4-2-3-5-21(18)28/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,26,29).
What are the key properties of 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-indol-1-ylthiophene-2-carbonyl)-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20940847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).