N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

C17H28N4O3 — CID 45196687

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CCc2c(C)n[nH]c2C)CCC1=O
InChIInChI=1S/C17H28N4O3/c1-12-15(13(2)19-18-12)7-8-20(3)17(23)14-5-6-16(22)21(11-14)9-10-24-4/h14H,5-11H2,1-4H3,(H,18,19)
InChIKeyPRWSCLKPQAOQBE-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.91
Rot. Bonds7

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 45196687) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID45196687
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)N(C)CCc2c(C)n[nH]c2C)CCC1=O
InChIInChI=1S/C17H28N4O3/c1-12-15(13(2)19-18-12)7-8-20(3)17(23)14-5-6-16(22)21(11-14)9-10-24-4/h14H,5-11H2,1-4H3,(H,18,19)
InChIKeyPRWSCLKPQAOQBE-UHFFFAOYSA-N
XLogP0.91
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide (CID 45196687) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)N(C)CCc2c(C)n[nH]c2C)CCC1=O.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is PRWSCLKPQAOQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-15(13(2)19-18-12)7-8-20(3)17(23)14-5-6-16(22)21(11-14)9-10-24-4/h14H,5-11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-methoxyethyl)-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45196687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).