1-(3-phenylpropanoyl)piperidine-4-carbohydrazide

C15H21N3O2 — CID 54794050

IUPAC1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c16-17-15(20)13-8-10-18(11-9-13)14(19)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20)
InChIKeySSJVPPIWMDNSEP-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.85
Rot. Bonds4

About 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide

1-(3-phenylpropanoyl)piperidine-4-carbohydrazide (PubChem CID 54794050) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
PubChem CID54794050
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
SMILESNNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C15H21N3O2/c16-17-15(20)13-8-10-18(11-9-13)14(19)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20)
InChIKeySSJVPPIWMDNSEP-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.85
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

3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
2-[2-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242488
N'-[2-(4-chlorophenyl)acetyl]-1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 46411290
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide (CID 54794050) is 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide is NNC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
The InChIKey is SSJVPPIWMDNSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-17-15(20)13-8-10-18(11-9-13)14(19)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,20).
What are the key properties of 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide?
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide has a molecular weight of 275.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropanoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 54794050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).