(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

C17H28N4O3 — CID 42564642

IUPAC(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCOC)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-5-21-13(3)15(12(2)19-21)10-18-17(23)14-6-7-16(22)20(11-14)8-9-24-4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1
InChIKeyJTVNXNMALCADJU-CQSZACIVSA-N
MW336.44 g/mol
LogP1.02
Rot. Bonds7

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

(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 42564642) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID42564642
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCOC)C2)c1C
InChIInChI=1S/C17H28N4O3/c1-5-21-13(3)15(12(2)19-21)10-18-17(23)14-6-7-16(22)20(11-14)8-9-24-4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1
InChIKeyJTVNXNMALCADJU-CQSZACIVSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97119210
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25308685
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
(3R)-1-(2-methoxyethyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 25277248
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
(3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 42213070
1-(2-methoxyethyl)-6-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 56700684
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 25456602
2,2-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropane-1-carboxamide
CID 86846937
(3S)-N-[(1-hydroxycyclohexyl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 25293036
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 42564642) is (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is CCn1nc(C)c(CNC(=O)[C@@H]2CCC(=O)N(CCOC)C2)c1C.
What is the InChIKey of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is JTVNXNMALCADJU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-21-13(3)15(12(2)19-21)10-18-17(23)14-6-7-16(22)20(11-14)8-9-24-4/h14H,5-11H2,1-4H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42564642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).