N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

C19H22N2O3S — CID 1443995

IUPACN-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(22)20-19(15-5-7-16(24-2)8-6-15)9-11-21(12-10-19)18(23)17-4-3-13-25-17/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyDPOUTLZAMRELBY-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide

N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 1443995) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID1443995
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-14(22)20-19(15-5-7-16(24-2)8-6-15)9-11-21(12-10-19)18(23)17-4-3-13-25-17/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyDPOUTLZAMRELBY-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide (CID 1443995) is N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is COc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is DPOUTLZAMRELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(22)20-19(15-5-7-16(24-2)8-6-15)9-11-21(12-10-19)18(23)17-4-3-13-25-17/h3-8,13H,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide?
N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 358.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 1443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).