N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

C20H26N4O4 — CID 24790733

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)[nH]n1
InChIInChI=1S/C20H26N4O4/c1-27-13-17-9-16(22-23-17)10-21-20(26)15-6-7-19(25)24(12-15)11-14-4-3-5-18(8-14)28-2/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyDWFGOEZUSURHQZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.62
Rot. Bonds8

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790733) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790733
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCOCc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)[nH]n1
InChIInChI=1S/C20H26N4O4/c1-27-13-17-9-16(22-23-17)10-21-20(26)15-6-7-19(25)24(12-15)11-14-4-3-5-18(8-14)28-2/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23)
InChIKeyDWFGOEZUSURHQZ-UHFFFAOYSA-N
XLogP1.62
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-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 N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790733) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is COCc1cc(CNC(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DWFGOEZUSURHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-27-13-17-9-16(22-23-17)10-21-20(26)15-6-7-19(25)24(12-15)11-14-4-3-5-18(8-14)28-2/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).