N-(3-phenylpropanoyl)piperidine-2-carbohydrazide

C15H21N3O2 — CID 23000717

IUPACN-(3-phenylpropanoyl)piperidine-2-carbohydrazide
SMILESNN(C(=O)CCc1ccccc1)C(=O)C1CCCCN1
InChIInChI=1S/C15H21N3O2/c16-18(15(20)13-8-4-5-11-17-13)14(19)10-9-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11,16H2
InChIKeyRXTMVCRDJQFTEJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds4

About N-(3-phenylpropanoyl)piperidine-2-carbohydrazide

N-(3-phenylpropanoyl)piperidine-2-carbohydrazide (PubChem CID 23000717) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(3-phenylpropanoyl)piperidine-2-carbohydrazide.

Molecular Properties

Compound NameN-(3-phenylpropanoyl)piperidine-2-carbohydrazide
PubChem CID23000717
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-(3-phenylpropanoyl)piperidine-2-carbohydrazide
SMILESNN(C(=O)CCc1ccccc1)C(=O)C1CCCCN1
InChIInChI=1S/C15H21N3O2/c16-18(15(20)13-8-4-5-11-17-13)14(19)10-9-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11,16H2
InChIKeyRXTMVCRDJQFTEJ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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

(2R)-N-(3-amino-3-oxopropyl)-N-benzylpiperidine-2-carboxamide
CID 104913263
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 54088548
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
3-[N-(piperidine-2-carbonyl)anilino]propanoic acid
CID 61160685
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
(2S)-N-benzyl-N-butan-2-ylpiperidine-2-carboxamide
CID 104913230
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119339735
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropanoyl)piperidine-2-carbohydrazide?
The IUPAC name of N-(3-phenylpropanoyl)piperidine-2-carbohydrazide (CID 23000717) is N-(3-phenylpropanoyl)piperidine-2-carbohydrazide.
What is the SMILES notation for N-(3-phenylpropanoyl)piperidine-2-carbohydrazide?
The canonical SMILES for N-(3-phenylpropanoyl)piperidine-2-carbohydrazide is NN(C(=O)CCc1ccccc1)C(=O)C1CCCCN1.
What is the InChIKey of N-(3-phenylpropanoyl)piperidine-2-carbohydrazide?
The InChIKey is RXTMVCRDJQFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-18(15(20)13-8-4-5-11-17-13)14(19)10-9-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11,16H2.
What are the key properties of N-(3-phenylpropanoyl)piperidine-2-carbohydrazide?
N-(3-phenylpropanoyl)piperidine-2-carbohydrazide has a molecular weight of 275.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropanoyl)piperidine-2-carbohydrazide is sourced from PubChem (CID 23000717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).