(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide

C16H23N3O3S — CID 9158057

IUPAC(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1C
InChIInChI=1S/C16H23N3O3S/c1-4-13-10(2)8-14(23-13)16(22)18-17-15(21)12-6-5-7-19(9-12)11(3)20/h8,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyIGSRKJNONAPSDZ-GFCCVEGCSA-N
MW337.45 g/mol
LogP1.64
Rot. Bonds3

About (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide

(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 9158057) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID9158057
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1C
InChIInChI=1S/C16H23N3O3S/c1-4-13-10(2)8-14(23-13)16(22)18-17-15(21)12-6-5-7-19(9-12)11(3)20/h8,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,22)/t12-/m1/s1
InChIKeyIGSRKJNONAPSDZ-GFCCVEGCSA-N
XLogP1.64
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-cyclopentyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 25433378
N'-(5-ethyl-4-methylthiophene-2-carbonyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carbohydrazide
CID 24643981
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
(1R,2R,3R,4R)-3-[[(5-ethyl-4-methylthiophene-2-carbonyl)amino]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124840295
(3R)-3-[[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]carbamoyl]piperidine-1-carboxamide
CID 9090734
N'-(2-cyclopent-2-en-1-ylacetyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 46656583
5-ethyl-4-methyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)thiophene-2-carbohydrazide
CID 9418515
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
5-[(3S)-1-acetylpiperidine-3-carbonyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 97208038
N'-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 11941115
(3R)-1-acetyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97188621

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide (CID 9158057) is (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide is CCc1sc(C(=O)NNC(=O)[C@@H]2CCCN(C(C)=O)C2)cc1C.
What is the InChIKey of (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is IGSRKJNONAPSDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-13-10(2)8-14(23-13)16(22)18-17-15(21)12-6-5-7-19(9-12)11(3)20/h8,12H,4-7,9H2,1-3H3,(H,17,21)(H,18,22)/t12-/m1/s1.
What are the key properties of (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide?
(3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 337.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N'-(5-ethyl-4-methylthiophene-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 9158057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).