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

C23H25N3O2S — CID 20886078

IUPACN-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C23H25N3O2S/c1-17-6-2-3-7-19(17)16-24-22(27)18-8-13-26(14-9-18)23(28)21-20(10-15-29-21)25-11-4-5-12-25/h2-7,10-12,15,18H,8-9,13-14,16H2,1H3,(H,24,27)
InChIKeyGHHVTAPAHMLTQU-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.02
Rot. Bonds5

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

N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 20886078) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID20886078
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC NameN-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
InChIInChI=1S/C23H25N3O2S/c1-17-6-2-3-7-19(17)16-24-22(27)18-8-13-26(14-9-18)23(28)21-20(10-15-29-21)25-11-4-5-12-25/h2-7,10-12,15,18H,8-9,13-14,16H2,1H3,(H,24,27)
InChIKeyGHHVTAPAHMLTQU-UHFFFAOYSA-N
XLogP4.02
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide (CID 20886078) is N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is Cc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is GHHVTAPAHMLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-17-6-2-3-7-19(17)16-24-22(27)18-8-13-26(14-9-18)23(28)21-20(10-15-29-21)25-11-4-5-12-25/h2-7,10-12,15,18H,8-9,13-14,16H2,1H3,(H,24,27).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20886078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).