1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide

C18H21N3O2S — CID 1481479

IUPAC1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c22-17(19-20-18(23)16-7-4-12-24-16)15-8-10-21(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)
InChIKeyJDASVOYLBUGEDX-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.42
Rot. Bonds4

About 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide

1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 1481479) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID1481479
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c22-17(19-20-18(23)16-7-4-12-24-16)15-8-10-21(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23)
InChIKeyJDASVOYLBUGEDX-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide (CID 1481479) is 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is JDASVOYLBUGEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(19-20-18(23)16-7-4-12-24-16)15-8-10-21(11-9-15)13-14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2,(H,19,22)(H,20,23).
What are the key properties of 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide?
1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 343.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(thiophene-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 1481479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).