N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide

C21H26N2O2S — CID 24817363

IUPACN-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C)s3)CC2)c1
InChIInChI=1S/C21H26N2O2S/c1-15-4-3-5-18(14-15)22-20(24)9-7-17-10-12-23(13-11-17)21(25)19-8-6-16(2)26-19/h3-6,8,14,17H,7,9-13H2,1-2H3,(H,22,24)
InChIKeyFOVKXVPDYJYMHT-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.64
Rot. Bonds5

About N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide

N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 24817363) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID24817363
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C)s3)CC2)c1
InChIInChI=1S/C21H26N2O2S/c1-15-4-3-5-18(14-15)22-20(24)9-7-17-10-12-23(13-11-17)21(25)19-8-6-16(2)26-19/h3-6,8,14,17H,7,9-13H2,1-2H3,(H,22,24)
InChIKeyFOVKXVPDYJYMHT-UHFFFAOYSA-N
XLogP4.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide (CID 24817363) is N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide is Cc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C)s3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is FOVKXVPDYJYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-4-3-5-18(14-15)22-20(24)9-7-17-10-12-23(13-11-17)21(25)19-8-6-16(2)26-19/h3-6,8,14,17H,7,9-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 370.52 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24817363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).