2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide

C14H18N4O2 — CID 105352027

IUPAC2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
SMILESN#CC1CN(Cc2ccc(CC(=O)NN)cc2)CCO1
InChIInChI=1S/C14H18N4O2/c15-8-13-10-18(5-6-20-13)9-12-3-1-11(2-4-12)7-14(19)17-16/h1-4,13H,5-7,9-10,16H2,(H,17,19)
InChIKeyALOOGPLSWWQLNJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.06
Rot. Bonds4

About 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide

2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide (PubChem CID 105352027) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
PubChem CID105352027
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide
SMILESN#CC1CN(Cc2ccc(CC(=O)NN)cc2)CCO1
InChIInChI=1S/C14H18N4O2/c15-8-13-10-18(5-6-20-13)9-12-3-1-11(2-4-12)7-14(19)17-16/h1-4,13H,5-7,9-10,16H2,(H,17,19)
InChIKeyALOOGPLSWWQLNJ-UHFFFAOYSA-N
XLogP-0.06
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
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

4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
CID 95621715
4-(2-cyanomorpholin-4-yl)butanehydrazide
CID 79680995
4-benzylmorpholine-2-carbonitrile;[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 157385252
methyl 4-[(2-cyanomorpholin-4-yl)methyl]-2-fluorobenzoate
CID 103749404
4-[(3-amino-4-bromophenyl)methyl]morpholine-2-carbonitrile
CID 113335147
3-[(2-cyanomorpholin-4-yl)methyl]thiophene-2-carboxylic acid
CID 79674635
2-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030384
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetohydrazide
CID 105352065
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
4-[[2-(aminomethyl)morpholin-4-yl]methyl]benzonitrile
CID 14881842

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide (CID 105352027) is 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide is N#CC1CN(Cc2ccc(CC(=O)NN)cc2)CCO1.
What is the InChIKey of 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide?
The InChIKey is ALOOGPLSWWQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-8-13-10-18(5-6-20-13)9-12-3-1-11(2-4-12)7-14(19)17-16/h1-4,13H,5-7,9-10,16H2,(H,17,19).
What are the key properties of 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide?
2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide has a molecular weight of 274.32 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyanomorpholin-4-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).