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

C26H32N4O2S — CID 92707643

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C26H32N4O2S/c1-2-28-14-5-7-21(28)18-27-25(31)20-11-15-29(16-12-20)26(32)23-9-10-24(33-23)30-17-13-19-6-3-4-8-22(19)30/h3-4,6,8-10,13,17,20-21H,2,5,7,11-12,14-16,18H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyFOKJAQUBNRGZKG-OAQYLSRUSA-N
MW464.64 g/mol
LogP4.14
Rot. Bonds6

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

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 92707643) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID92707643
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1
InChIInChI=1S/C26H32N4O2S/c1-2-28-14-5-7-21(28)18-27-25(31)20-11-15-29(16-12-20)26(32)23-9-10-24(33-23)30-17-13-19-6-3-4-8-22(19)30/h3-4,6,8-10,13,17,20-21H,2,5,7,11-12,14-16,18H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyFOKJAQUBNRGZKG-OAQYLSRUSA-N
XLogP4.14
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 92707643) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is CCN1CCC[C@@H]1CNC(=O)C1CCN(C(=O)c2ccc(-n3ccc4ccccc43)s2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FOKJAQUBNRGZKG-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-2-28-14-5-7-21(28)18-27-25(31)20-11-15-29(16-12-20)26(32)23-9-10-24(33-23)30-17-13-19-6-3-4-8-22(19)30/h3-4,6,8-10,13,17,20-21H,2,5,7,11-12,14-16,18H2,1H3,(H,27,31)/t21-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 464.64 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(5-indol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 92707643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).