1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide

C14H17N3O4 — CID 35345514

IUPAC1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H17N3O4/c1-10(18)16-7-5-11(6-8-16)14(19)15-12-3-2-4-13(9-12)17(20)21/h2-4,9,11H,5-8H2,1H3,(H,15,19)
InChIKeyPTGHVOGLHGVZLB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.79
Rot. Bonds3

About 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide

1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide (PubChem CID 35345514) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
PubChem CID35345514
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C14H17N3O4/c1-10(18)16-7-5-11(6-8-16)14(19)15-12-3-2-4-13(9-12)17(20)21/h2-4,9,11H,5-8H2,1H3,(H,15,19)
InChIKeyPTGHVOGLHGVZLB-UHFFFAOYSA-N
XLogP1.79
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.79
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

1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
1-(4-tert-butylbenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 126057580
1-(4-chlorobenzoyl)-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 9411138
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
1-(4-methylsulfonylphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 16935188
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
1-acetyl-N-(3-formylphenyl)piperidine-4-carboxamide
CID 59571688
1-[3-(3-nitroanilino)-3-oxopropyl]-N-phenylpiperidine-4-carboxamide
CID 46685685
1-acetyl-N-(3-methylsulfonylphenyl)piperidine-4-carboxamide
CID 33156130
4-(cyclopropanecarbonylamino)-N-(3-nitrophenyl)benzamide
CID 17359573
[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 31856768

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide (CID 35345514) is 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is PTGHVOGLHGVZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-10(18)16-7-5-11(6-8-16)14(19)15-12-3-2-4-13(9-12)17(20)21/h2-4,9,11H,5-8H2,1H3,(H,15,19).
What are the key properties of 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide?
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 35345514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).