N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide

C23H30N2O2S — CID 25306942

IUPACN-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)CCCc3cccs3)CC2)c1
InChIInChI=1S/C23H30N2O2S/c1-18-5-2-6-20(17-18)24-22(26)11-10-19-12-14-25(15-13-19)23(27)9-3-7-21-8-4-16-28-21/h2,4-6,8,16-17,19H,3,7,9-15H2,1H3,(H,24,26)
InChIKeyVBIVRZMRBWEFAM-UHFFFAOYSA-N
MW398.57 g/mol
LogP5.04
Rot. Bonds8

About N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide

N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide (PubChem CID 25306942) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide
PubChem CID25306942
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC NameN-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide
SMILESCc1cccc(NC(=O)CCC2CCN(C(=O)CCCc3cccs3)CC2)c1
InChIInChI=1S/C23H30N2O2S/c1-18-5-2-6-20(17-18)24-22(26)11-10-19-12-14-25(15-13-19)23(27)9-3-7-21-8-4-16-28-21/h2,4-6,8,16-17,19H,3,7,9-15H2,1H3,(H,24,26)
InChIKeyVBIVRZMRBWEFAM-UHFFFAOYSA-N
XLogP5.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.57
LogP ≤ 55.04
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-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide (CID 25306942) is N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide is Cc1cccc(NC(=O)CCC2CCN(C(=O)CCCc3cccs3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide?
The InChIKey is VBIVRZMRBWEFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-18-5-2-6-20(17-18)24-22(26)11-10-19-12-14-25(15-13-19)23(27)9-3-7-21-8-4-16-28-21/h2,4-6,8,16-17,19H,3,7,9-15H2,1H3,(H,24,26).
What are the key properties of N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide?
N-(3-methylphenyl)-3-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide has a molecular weight of 398.57 g/mol, XLogP of 5.04, 8 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-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25306942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).