1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

C15H19N3O4 — CID 108804425

IUPAC1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C15H19N3O4/c1-10-3-4-13(18(21)22)9-14(10)16-15(20)12-5-7-17(8-6-12)11(2)19/h3-4,9,12H,5-8H2,1-2H3,(H,16,20)
InChIKeyQYJSOKRVLDQQMO-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.10
Rot. Bonds3

About 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide

1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (PubChem CID 108804425) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
PubChem CID108804425
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1
InChIInChI=1S/C15H19N3O4/c1-10-3-4-13(18(21)22)9-14(10)16-15(20)12-5-7-17(8-6-12)11(2)19/h3-4,9,12H,5-8H2,1-2H3,(H,16,20)
InChIKeyQYJSOKRVLDQQMO-UHFFFAOYSA-N
XLogP2.10
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.10
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-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 99817602
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-acetyl-N-(4-nitrophenyl)piperidine-4-carboxamide
CID 108792167
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
1-acetyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 35345514
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
1-acetyl-N-[5-(diethylsulfamoyl)-2-methylphenyl]piperidine-4-carboxamide
CID 17447576
trans-(1R,2R)-3-methylidene-1-N,2-N-bis(2-methyl-5-nitrophenyl)cyclopropane-1,2-dicarboxamide
CID 2327600
(4Z)-N-(2-methyl-5-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5286985
1-[(4-fluorophenyl)methylsulfonyl]-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 92642639
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (CID 108804425) is 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1.
What is the InChIKey of 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is QYJSOKRVLDQQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10-3-4-13(18(21)22)9-14(10)16-15(20)12-5-7-17(8-6-12)11(2)19/h3-4,9,12H,5-8H2,1-2H3,(H,16,20).
What are the key properties of 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 108804425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).