5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide

C13H21N3O2S — CID 55214588

IUPAC5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCC2CCO)s1
InChIInChI=1S/C13H21N3O2S/c14-15-13(18)12-5-4-11(19-12)9-16-7-2-1-3-10(16)6-8-17/h4-5,10,17H,1-3,6-9,14H2,(H,15,18)
InChIKeyMDQQZGQYAVZLQC-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.09
Rot. Bonds5

About 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide

5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide (PubChem CID 55214588) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
PubChem CID55214588
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCCCC2CCO)s1
InChIInChI=1S/C13H21N3O2S/c14-15-13(18)12-5-4-11(19-12)9-16-7-2-1-3-10(16)6-8-17/h4-5,10,17H,1-3,6-9,14H2,(H,15,18)
InChIKeyMDQQZGQYAVZLQC-UHFFFAOYSA-N
XLogP1.09
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]thiophene-2-carbohydrazide
CID 63582953
1-(5-ethylthiophen-2-yl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62050766
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophene-2-carbohydrazide
CID 113336320
5-[(2,6-dimethylpiperidin-1-yl)methyl]thiophene-2-carbohydrazide
CID 55214398
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 105345630
2-(2-bromoethyl)-1-[(5-bromothiophen-2-yl)methyl]piperidine
CID 80671588
2-(2-chloroethyl)-1-[(5-ethylthiophen-2-yl)methyl]piperidine
CID 63386907
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
1-[(5-bromothiophen-2-yl)methyl]-2-propylpiperidine
CID 83062360
2-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 63571354
2-[1-[(2-hydrazinyl-4-pyridinyl)methyl]piperidin-2-yl]ethanol
CID 62469935

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide (CID 55214588) is 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide is NNC(=O)c1ccc(CN2CCCCC2CCO)s1.
What is the InChIKey of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
The InChIKey is MDQQZGQYAVZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-15-13(18)12-5-4-11(19-12)9-16-7-2-1-3-10(16)6-8-17/h4-5,10,17H,1-3,6-9,14H2,(H,15,18).
What are the key properties of 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide?
5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide has a molecular weight of 283.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55214588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).