5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide

C23H28N4OS — CID 45189074

IUPAC5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ncc[nH]2)s1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H28N4OS/c1-26(23(28)21-12-11-20(29-21)22-24-13-14-25-22)19-10-6-16-27(17-19)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,19H,5-6,9-10,15-17H2,1H3,(H,24,25)
InChIKeyFEQKHYHHVFAVJU-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.31
Rot. Bonds7

About 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide

5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 45189074) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
PubChem CID45189074
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide
SMILESCN(C(=O)c1ccc(-c2ncc[nH]2)s1)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H28N4OS/c1-26(23(28)21-12-11-20(29-21)22-24-13-14-25-22)19-10-6-16-27(17-19)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,19H,5-6,9-10,15-17H2,1H3,(H,24,25)
InChIKeyFEQKHYHHVFAVJU-UHFFFAOYSA-N
XLogP4.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide (CID 45189074) is 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide is CN(C(=O)c1ccc(-c2ncc[nH]2)s1)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide?
The InChIKey is FEQKHYHHVFAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-26(23(28)21-12-11-20(29-21)22-24-13-14-25-22)19-10-6-16-27(17-19)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,19H,5-6,9-10,15-17H2,1H3,(H,24,25).
What are the key properties of 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide?
5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45189074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).