1-phenyl-2-propanoylpiperidine-4-carbohydrazide

C15H21N3O2 — CID 174875639

IUPAC1-phenyl-2-propanoylpiperidine-4-carbohydrazide
SMILESCCC(=O)C1CC(C(=O)NN)CCN1c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)13-10-11(15(20)17-16)8-9-18(13)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3,(H,17,20)
InChIKeyXATBBEYLDWJUDG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.24
Rot. Bonds4

About 1-phenyl-2-propanoylpiperidine-4-carbohydrazide

1-phenyl-2-propanoylpiperidine-4-carbohydrazide (PubChem CID 174875639) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-phenyl-2-propanoylpiperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-2-propanoylpiperidine-4-carbohydrazide
PubChem CID174875639
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-phenyl-2-propanoylpiperidine-4-carbohydrazide
SMILESCCC(=O)C1CC(C(=O)NN)CCN1c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-2-14(19)13-10-11(15(20)17-16)8-9-18(13)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3,(H,17,20)
InChIKeyXATBBEYLDWJUDG-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.24
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

1-phenylpiperidine-2,4-dicarboxylic acid
CID 174902187
2-chloro-1-[(2R)-1-phenylazetidin-2-yl]ethanone
CID 164769489
(2S)-1-phenylazetidine-2-carboxylic acid
CID 57017156
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
1-[(2-methylphenyl)methyl]piperidine-4-carbohydrazide
CID 54793639
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 15158260
(2S)-2-ethyl-1-phenylpyrrolidin-3-ol
CID 167069518
N-ethyl-N-methyl-1-phenylpiperidine-4-carboxamide
CID 67767896

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-propanoylpiperidine-4-carbohydrazide?
The IUPAC name of 1-phenyl-2-propanoylpiperidine-4-carbohydrazide (CID 174875639) is 1-phenyl-2-propanoylpiperidine-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-2-propanoylpiperidine-4-carbohydrazide?
The canonical SMILES for 1-phenyl-2-propanoylpiperidine-4-carbohydrazide is CCC(=O)C1CC(C(=O)NN)CCN1c1ccccc1.
What is the InChIKey of 1-phenyl-2-propanoylpiperidine-4-carbohydrazide?
The InChIKey is XATBBEYLDWJUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-14(19)13-10-11(15(20)17-16)8-9-18(13)12-6-4-3-5-7-12/h3-7,11,13H,2,8-10,16H2,1H3,(H,17,20).
What are the key properties of 1-phenyl-2-propanoylpiperidine-4-carbohydrazide?
1-phenyl-2-propanoylpiperidine-4-carbohydrazide has a molecular weight of 275.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-propanoylpiperidine-4-carbohydrazide is sourced from PubChem (CID 174875639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).