2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide

C14H22N4O — CID 63584652

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
SMILESCN(C)C1CCN(C(C(=O)NN)c2ccccc2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)12-8-9-18(10-12)13(14(19)16-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3,(H,16,19)
InChIKeyDABLJZSXKBQCKQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.35
Rot. Bonds4

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide

2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide (PubChem CID 63584652) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
PubChem CID63584652
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide
SMILESCN(C)C1CCN(C(C(=O)NN)c2ccccc2)C1
InChIInChI=1S/C14H22N4O/c1-17(2)12-8-9-18(10-12)13(14(19)16-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3,(H,16,19)
InChIKeyDABLJZSXKBQCKQ-UHFFFAOYSA-N
XLogP0.35
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetohydrazide
CID 103503815
2-(3,5-dimethylpiperidin-1-yl)-2-phenylacetohydrazide
CID 63568815
2-(4-ethoxypiperidin-1-yl)-2-phenylacetohydrazide
CID 63572659
2-[3-(dimethylamino)pyrrolidin-1-yl]propanehydrazide
CID 63584464
2-(1,3-dihydroisoindol-2-yl)-2-phenylacetohydrazide
CID 63572788
2-(4-methylsulfonylpiperazin-1-yl)-2-phenylacetohydrazide
CID 63574186
1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylpropan-2-one
CID 70896720
2-phenyl-2-(2,2,6-trimethylmorpholin-4-yl)acetohydrazide
CID 63585687
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-yl)-2-phenylacetamide
CID 8557740
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-phenylacetohydrazide
CID 107458803
(2R)-N-cyclopropyl-2-phenyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 98755732
(2S)-N-cyclopropyl-2-phenyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95298740

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide (CID 63584652) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide is CN(C)C1CCN(C(C(=O)NN)c2ccccc2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide?
The InChIKey is DABLJZSXKBQCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)12-8-9-18(10-12)13(14(19)16-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide has a molecular weight of 262.36 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-2-phenylacetohydrazide is sourced from PubChem (CID 63584652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).