N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide

C22H26N2O3 — CID 24547712

IUPACN-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O3/c1-3-20(16-9-13-19(27-2)14-10-16)23-22(26)17-7-11-18(12-8-17)24-15-5-4-6-21(24)25/h7-14,20H,3-6,15H2,1-2H3,(H,23,26)
InChIKeyUVNUZUQZYDUAPV-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.09
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide

N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 24547712) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID24547712
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESCCC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C22H26N2O3/c1-3-20(16-9-13-19(27-2)14-10-16)23-22(26)17-7-11-18(12-8-17)24-15-5-4-6-21(24)25/h7-14,20H,3-6,15H2,1-2H3,(H,23,26)
InChIKeyUVNUZUQZYDUAPV-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide (CID 24547712) is N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide is CCC(NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is UVNUZUQZYDUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-20(16-9-13-19(27-2)14-10-16)23-22(26)17-7-11-18(12-8-17)24-15-5-4-6-21(24)25/h7-14,20H,3-6,15H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 24547712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).