1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

C21H28N4O3 — CID 24818870

IUPAC1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cnn(C)c3)CCC2=O)cc1
InChIInChI=1S/C21H28N4O3/c1-24-14-17(13-23-24)9-11-22-21(27)18-5-8-20(26)25(15-18)12-10-16-3-6-19(28-2)7-4-16/h3-4,6-7,13-14,18H,5,8-12,15H2,1-2H3,(H,22,27)
InChIKeyGNXGSLIIIRPOCA-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.57
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24818870) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID24818870
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cnn(C)c3)CCC2=O)cc1
InChIInChI=1S/C21H28N4O3/c1-24-14-17(13-23-24)9-11-22-21(27)18-5-8-20(26)25(15-18)12-10-16-3-6-19(28-2)7-4-16/h3-4,6-7,13-14,18H,5,8-12,15H2,1-2H3,(H,22,27)
InChIKeyGNXGSLIIIRPOCA-UHFFFAOYSA-N
XLogP1.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 24818870) is 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCCc3cnn(C)c3)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GNXGSLIIIRPOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-24-14-17(13-23-24)9-11-22-21(27)18-5-8-20(26)25(15-18)12-10-16-3-6-19(28-2)7-4-16/h3-4,6-7,13-14,18H,5,8-12,15H2,1-2H3,(H,22,27).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24818870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).