2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide

C15H23N3O — CID 63568815

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
SMILESCC1CC(C)CN(C(C(=O)NN)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)10-18(9-11)14(15(19)17-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyKBRFGLUDLQYRMS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.70
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide

2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide (PubChem CID 63568815) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
PubChem CID63568815
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
SMILESCC1CC(C)CN(C(C(=O)NN)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-11-8-12(2)10-18(9-11)14(15(19)17-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19)
InChIKeyKBRFGLUDLQYRMS-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
(2S)-N-cyclohexyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 94778967
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
CID 63572788
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
CID 63584652
2-phenyl-2-(2,2,6-trimethylmorpholin-4-yl)acetohydrazide
CID 63585687
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
CID 107458803
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide (CID 63568815) is 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide is CC1CC(C)CN(C(C(=O)NN)c2ccccc2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide?
The InChIKey is KBRFGLUDLQYRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-12(2)10-18(9-11)14(15(19)17-16)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide?
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide has a molecular weight of 261.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide is sourced from PubChem (CID 63568815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).