1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide

C12H19N3OS — CID 54793677

IUPAC1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
SMILESCc1ccsc1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C12H19N3OS/c1-9-4-6-17-11(9)8-15-5-2-3-10(7-15)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyKJEZMWRARUIVDY-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.26
Rot. Bonds3

About 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide

1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide (PubChem CID 54793677) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
PubChem CID54793677
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide
SMILESCc1ccsc1CN1CCCC(C(=O)NN)C1
InChIInChI=1S/C12H19N3OS/c1-9-4-6-17-11(9)8-15-5-2-3-10(7-15)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16)
InChIKeyKJEZMWRARUIVDY-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
[1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 54793852
[(3R)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 129359759
1-ethylpiperidine-3-carbohydrazide
CID 68651092
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methanone
CID 807320
(3R,4R)-4-(azepan-1-yl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 29000867
4-[(3-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74230280
ethyl (3R)-1-[2-[2,2-bis(3-methylthiophen-2-yl)ethenoxy]ethyl]piperidine-3-carboxylate
CID 10598185
N-(3,3-diphenylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 35269814
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 25381246

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide (CID 54793677) is 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide is Cc1ccsc1CN1CCCC(C(=O)NN)C1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide?
The InChIKey is KJEZMWRARUIVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-4-6-17-11(9)8-15-5-2-3-10(7-15)12(16)14-13/h4,6,10H,2-3,5,7-8,13H2,1H3,(H,14,16).
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide?
1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide has a molecular weight of 253.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 54793677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).