(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

C17H22N4O2S — CID 95769919

IUPAC(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H22N4O2S/c1-19(9-12-6-7-24-11-12)17(23)14-4-5-15(22)21(3)16(14)13-8-18-20(2)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3/t14-,16+/m0/s1
InChIKeyOTQIJPAZIZHRBM-GOEBONIOSA-N
MW346.46 g/mol
LogP2.05
Rot. Bonds4

About (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide

(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 95769919) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
PubChem CID95769919
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1ccsc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H22N4O2S/c1-19(9-12-6-7-24-11-12)17(23)14-4-5-15(22)21(3)16(14)13-8-18-20(2)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3/t14-,16+/m0/s1
InChIKeyOTQIJPAZIZHRBM-GOEBONIOSA-N
XLogP2.05
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

4-[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]butanoic acid
CID 119172685
(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxo-1-(thiophen-3-ylmethyl)piperidine-3-carboxylic acid
CID 95321612
2-methyl-5-[[methyl-[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 119221843
(2R)-2-[methyl-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125134220
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
CID 155949173
5-(4-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 136526026
4-[2-[[(2S,3R)-1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]ethyl]benzoic acid
CID 125151949
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 128999095
(2S)-2-[[1-methyl-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 119237864
(5S,6R)-1-methyl-5-[(3R)-3-methylpiperazine-1-carbonyl]-6-(1-methylpyrazol-4-yl)piperidin-2-one
CID 124620457
N-methyl-2-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]-2,5-dioxopyrrolidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 98206144
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide (CID 95769919) is (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is CN(Cc1ccsc1)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1.
What is the InChIKey of (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OTQIJPAZIZHRBM-GOEBONIOSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-19(9-12-6-7-24-11-12)17(23)14-4-5-15(22)21(3)16(14)13-8-18-20(2)10-13/h6-8,10-11,14,16H,4-5,9H2,1-3H3/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide?
(2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,1-dimethyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(thiophen-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95769919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).