N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide

C16H22ClN3O3 — CID 8549897

IUPACN'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
SMILESC[C@H]1CCCCN1CC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c1-12-4-2-3-9-20(12)10-15(21)18-19-16(22)11-23-14-7-5-13(17)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyUZWBUVDATIUXSN-LBPRGKRZSA-N
MW339.82 g/mol
LogP1.74
Rot. Bonds5

About N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide

N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide (PubChem CID 8549897) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
PubChem CID8549897
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide
SMILESC[C@H]1CCCCN1CC(=O)NNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O3/c1-12-4-2-3-9-20(12)10-15(21)18-19-16(22)11-23-14-7-5-13(17)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyUZWBUVDATIUXSN-LBPRGKRZSA-N
XLogP1.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.74
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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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
N'-[2-(4-chlorophenoxy)acetyl]cyclopropanecarbohydrazide
CID 923350
N-(4-ethoxyphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583349
N-[(1R)-1-(4-chlorophenyl)propyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 32858382
2-(4-acetylpiperazin-1-yl)-N'-[2-(4-chlorophenoxy)acetyl]acetohydrazide
CID 8542443
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697996
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-cyclohexyl-methylazanium
CID 7998367
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide (CID 8549897) is N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide is C[C@H]1CCCCN1CC(=O)NNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide?
The InChIKey is UZWBUVDATIUXSN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-12-4-2-3-9-20(12)10-15(21)18-19-16(22)11-23-14-7-5-13(17)6-8-14/h5-8,12H,2-4,9-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide?
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide has a molecular weight of 339.82 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)acetyl]-2-[(2S)-2-methylpiperidin-1-yl]acetohydrazide is sourced from PubChem (CID 8549897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).