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

C19H22N2O4 — CID 652969

IUPACN-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O4/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)
InChIKeyJDBCGGXUSFJOMZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.56
Rot. Bonds4

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

N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide (PubChem CID 652969) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
PubChem CID652969
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(C2(NC(C)=O)CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H22N2O4/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)
InChIKeyJDBCGGXUSFJOMZ-UHFFFAOYSA-N
XLogP2.56
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide (CID 652969) is N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide is COc1ccc(C2(NC(C)=O)CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
The InChIKey is JDBCGGXUSFJOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/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-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide?
N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-4-(4-methoxyphenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 652969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).