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

C22H28N2O3S — CID 24793306

IUPAC3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCOCc1ccc(C(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C22H28N2O3S/c1-16-4-3-5-18(14-16)23-21(25)9-6-17-10-12-24(13-11-17)22(26)20-8-7-19(28-20)15-27-2/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3,(H,23,25)
InChIKeyNWRSIBGEQXKYAH-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.47
Rot. Bonds7

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

3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 24793306) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID24793306
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCOCc1ccc(C(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)s1
InChIInChI=1S/C22H28N2O3S/c1-16-4-3-5-18(14-16)23-21(25)9-6-17-10-12-24(13-11-17)22(26)20-8-7-19(28-20)15-27-2/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3,(H,23,25)
InChIKeyNWRSIBGEQXKYAH-UHFFFAOYSA-N
XLogP4.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (CID 24793306) is 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is COCc1ccc(C(=O)N2CCC(CCC(=O)Nc3cccc(C)c3)CC2)s1.
What is the InChIKey of 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is NWRSIBGEQXKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-16-4-3-5-18(14-16)23-21(25)9-6-17-10-12-24(13-11-17)22(26)20-8-7-19(28-20)15-27-2/h3-5,7-8,14,17H,6,9-13,15H2,1-2H3,(H,23,25).
What are the key properties of 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 400.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 24793306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).