(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one

C13H19N3O — CID 125487569

IUPAC(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one
SMILESCCc1ccccc1NN[C@H]1CCCNC1=O
InChIInChI=1S/C13H19N3O/c1-2-10-6-3-4-7-11(10)15-16-12-8-5-9-14-13(12)17/h3-4,6-7,12,15-16H,2,5,8-9H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyXPSFYRUFMQPLMZ-LBPRGKRZSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds4

About (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one

(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one (PubChem CID 125487569) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one
PubChem CID125487569
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one
SMILESCCc1ccccc1NN[C@H]1CCCNC1=O
InChIInChI=1S/C13H19N3O/c1-2-10-6-3-4-7-11(10)15-16-12-8-5-9-14-13(12)17/h3-4,6-7,12,15-16H,2,5,8-9H2,1H3,(H,14,17)/t12-/m0/s1
InChIKeyXPSFYRUFMQPLMZ-LBPRGKRZSA-N
XLogP1.44
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one?
The IUPAC name of (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one (CID 125487569) is (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one?
The canonical SMILES for (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one is CCc1ccccc1NN[C@H]1CCCNC1=O.
What is the InChIKey of (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one?
The InChIKey is XPSFYRUFMQPLMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-10-6-3-4-7-11(10)15-16-12-8-5-9-14-13(12)17/h3-4,6-7,12,15-16H,2,5,8-9H2,1H3,(H,14,17)/t12-/m0/s1.
What are the key properties of (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one?
(3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2-ethylphenyl)hydrazinyl]piperidin-2-one is sourced from PubChem (CID 125487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).