1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide

C15H19N3O4 — CID 119159266

IUPAC1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O4/c16-15(20)12-6-8-17(9-7-12)14(19)5-4-11-2-1-3-13(10-11)18(21)22/h1-3,10,12H,4-9H2,(H2,16,20)
InChIKeyAGHOGDQUQYYQDC-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.25
Rot. Bonds5

About 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide

1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide (PubChem CID 119159266) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide
PubChem CID119159266
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H19N3O4/c16-15(20)12-6-8-17(9-7-12)14(19)5-4-11-2-1-3-13(10-11)18(21)22/h1-3,10,12H,4-9H2,(H2,16,20)
InChIKeyAGHOGDQUQYYQDC-UHFFFAOYSA-N
XLogP1.25
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-methyl-1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 120953330
1-[3-(3-nitrophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356438
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 119434799
4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
CID 62505759
1-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethyl]piperidine-4-carboxamide
CID 34364427
ethyl 2-[[1-[2-(3-nitrophenyl)acetyl]piperidine-4-carbonyl]amino]acetate
CID 75430671
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[(3-nitrophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032292
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43309005
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide (CID 119159266) is 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide?
The InChIKey is AGHOGDQUQYYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-15(20)12-6-8-17(9-7-12)14(19)5-4-11-2-1-3-13(10-11)18(21)22/h1-3,10,12H,4-9H2,(H2,16,20).
What are the key properties of 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide?
1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-nitrophenyl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 119159266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).