5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide

C18H18BrN3O3S — CID 56574617

IUPAC5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)N1CCCCC1=O)c1ccc(Br)s1
InChIInChI=1S/C18H18BrN3O3S/c19-14-10-9-13(26-14)17(24)20-21-18(25)16(12-6-2-1-3-7-12)22-11-5-4-8-15(22)23/h1-3,6-7,9-10,16H,4-5,8,11H2,(H,20,24)(H,21,25)
InChIKeyCJWNBVOHEBOBFB-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.03
Rot. Bonds4

About 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide

5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide (PubChem CID 56574617) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide
PubChem CID56574617
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide
SMILESO=C(NNC(=O)C(c1ccccc1)N1CCCCC1=O)c1ccc(Br)s1
InChIInChI=1S/C18H18BrN3O3S/c19-14-10-9-13(26-14)17(24)20-21-18(25)16(12-6-2-1-3-7-12)22-11-5-4-8-15(22)23/h1-3,6-7,9-10,16H,4-5,8,11H2,(H,20,24)(H,21,25)
InChIKeyCJWNBVOHEBOBFB-UHFFFAOYSA-N
XLogP3.03
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.03
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

N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N,N-dimethyl-3-[[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]carbamoyl]benzenesulfonamide
CID 56513539
N-(4-hydroxycyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111113210
N-(4-aminocyclohexyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 119476626
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
N'-[2-(4-methoxyanilino)acetyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetohydrazide
CID 56574851
5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
CID 30756356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide (CID 56574617) is 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide is O=C(NNC(=O)C(c1ccccc1)N1CCCCC1=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide?
The InChIKey is CJWNBVOHEBOBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c19-14-10-9-13(26-14)17(24)20-21-18(25)16(12-6-2-1-3-7-12)22-11-5-4-8-15(22)23/h1-3,6-7,9-10,16H,4-5,8,11H2,(H,20,24)(H,21,25).
What are the key properties of 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide?
5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide has a molecular weight of 436.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 56574617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).