2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide

C20H28N4O2S — CID 124993023

IUPAC2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NCCc3ccc(C)s3)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-3-24-12-9-18(22-24)20(26)23-11-4-5-16(14-23)13-19(25)21-10-8-17-7-6-15(2)27-17/h6-7,9,12,16H,3-5,8,10-11,13-14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyPURJXQUWAUMHFC-INIZCTEOSA-N
MW388.54 g/mol
LogP2.87
Rot. Bonds7

About 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide

2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide (PubChem CID 124993023) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
PubChem CID124993023
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
SMILESCCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NCCc3ccc(C)s3)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-3-24-12-9-18(22-24)20(26)23-11-4-5-16(14-23)13-19(25)21-10-8-17-7-6-15(2)27-17/h6-7,9,12,16H,3-5,8,10-11,13-14H2,1-2H3,(H,21,25)/t16-/m0/s1
InChIKeyPURJXQUWAUMHFC-INIZCTEOSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide
CID 110085839
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124950270
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
2-cyclopentyl-N-[(R)-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 92590234
2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110085786
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
N-[(4R)-1-(1-ethylpyrazole-3-carbonyl)azepan-4-yl]-5-methylpyrazine-2-carboxamide
CID 92634374

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide (CID 124993023) is 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide is CCn1ccc(C(=O)N2CCC[C@@H](CC(=O)NCCc3ccc(C)s3)C2)n1.
What is the InChIKey of 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide?
The InChIKey is PURJXQUWAUMHFC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-3-24-12-9-18(22-24)20(26)23-11-4-5-16(14-23)13-19(25)21-10-8-17-7-6-15(2)27-17/h6-7,9,12,16H,3-5,8,10-11,13-14H2,1-2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide?
2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide has a molecular weight of 388.54 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-[2-(5-methylthiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 124993023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).