N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

C24H27N3O3S — CID 3241449

IUPACN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyVIEPOUFBBYKIHK-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.11
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 3241449) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID3241449
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28)
InChIKeyVIEPOUFBBYKIHK-UHFFFAOYSA-N
XLogP4.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 3241449) is N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is VIEPOUFBBYKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-2-30-21-8-4-3-7-19(21)17-25-23(28)18-9-14-27(15-10-18)24(29)22-20(11-16-31-22)26-12-5-6-13-26/h3-8,11-13,16,18H,2,9-10,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 3241449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).