(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C16H20N4O2S — CID 95738812

IUPAC(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCn1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)n1
InChIInChI=1S/C16H20N4O2S/c1-3-20-9-8-13(18-20)17-16(22)11-6-7-14(21)19(2)15(11)12-5-4-10-23-12/h4-5,8-11,15H,3,6-7H2,1-2H3,(H,17,18,22)/t11-,15-/m1/s1
InChIKeySGJBKLHGOCRLMA-IAQYHMDHSA-N
MW332.43 g/mol
LogP2.51
Rot. Bonds4

About (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 95738812) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID95738812
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCCn1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)n1
InChIInChI=1S/C16H20N4O2S/c1-3-20-9-8-13(18-20)17-16(22)11-6-7-14(21)19(2)15(11)12-5-4-10-23-12/h4-5,8-11,15H,3,6-7H2,1-2H3,(H,17,18,22)/t11-,15-/m1/s1
InChIKeySGJBKLHGOCRLMA-IAQYHMDHSA-N
XLogP2.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738826
(2R,3S)-N-cyclopropyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738837
(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738303
(2S,3S)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738302
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 71687695
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457095
1-methyl-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538089
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
(5R,6S)-5-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 96513209
(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
(2R,3R)-6-oxo-1-(3-pyrazol-1-ylpropyl)-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291557
6-[(1-ethylpyrazol-3-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19620237

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 95738812) is (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is CCn1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cccs2)n1.
What is the InChIKey of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is SGJBKLHGOCRLMA-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-20-9-8-13(18-20)17-16(22)11-6-7-14(21)19(2)15(11)12-5-4-10-23-12/h4-5,8-11,15H,3,6-7H2,1-2H3,(H,17,18,22)/t11-,15-/m1/s1.
What are the key properties of (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 95738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).