N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide

C12H17N3O3S — CID 60674119

IUPACN'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1CCC(O)CC1)NNC(=O)c1cccs1
InChIInChI=1S/C12H17N3O3S/c16-9-3-5-15(6-4-9)8-11(17)13-14-12(18)10-2-1-7-19-10/h1-2,7,9,16H,3-6,8H2,(H,13,17)(H,14,18)
InChIKeyYEPNMMCXLWXMJJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP-0.03
Rot. Bonds3

About N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide

N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide (PubChem CID 60674119) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
PubChem CID60674119
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
SMILESO=C(CN1CCC(O)CC1)NNC(=O)c1cccs1
InChIInChI=1S/C12H17N3O3S/c16-9-3-5-15(6-4-9)8-11(17)13-14-12(18)10-2-1-7-19-10/h1-2,7,9,16H,3-6,8H2,(H,13,17)(H,14,18)
InChIKeyYEPNMMCXLWXMJJ-UHFFFAOYSA-N
XLogP-0.03
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetyl]thiophene-2-carbohydrazide
CID 115314251
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 103577312
2-[1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]azetidin-3-yl]propanoic acid
CID 116683976
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
1-N',4-N'-bis(thiophene-2-carbonyl)butanedihydrazide
CID 3715888
N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
N'-[2-(3-hydroxypyrrolidin-1-yl)acetyl]benzohydrazide
CID 62916316
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
CID 81209025

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide (CID 60674119) is N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide is O=C(CN1CCC(O)CC1)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide?
The InChIKey is YEPNMMCXLWXMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-9-3-5-15(6-4-9)8-11(17)13-14-12(18)10-2-1-7-19-10/h1-2,7,9,16H,3-6,8H2,(H,13,17)(H,14,18).
What are the key properties of N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide?
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide has a molecular weight of 283.35 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 60674119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).