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

C21H26N2O3S — CID 24819629

IUPACN-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3sccc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-13-27-20(15)21(25)23-11-8-16(9-12-23)6-7-19(24)22-17-4-3-5-18(14-17)26-2/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,22,24)
InChIKeyKXKUGIUFBGMMGQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.34
Rot. Bonds6

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

N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide (PubChem CID 24819629) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
PubChem CID24819629
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)c3sccc3C)CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-15-10-13-27-20(15)21(25)23-11-8-16(9-12-23)6-7-19(24)22-17-4-3-5-18(14-17)26-2/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,22,24)
InChIKeyKXKUGIUFBGMMGQ-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide (CID 24819629) is N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)c3sccc3C)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is KXKUGIUFBGMMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-10-13-27-20(15)21(25)23-11-8-16(9-12-23)6-7-19(24)22-17-4-3-5-18(14-17)26-2/h3-5,10,13-14,16H,6-9,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 24819629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).