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

C14H19N3O3 — CID 99817602

IUPAC1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H19N3O3/c1-10-3-4-12(17(19)20)9-13(10)15-14(18)11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,18)
InChIKeyDDGAGKKBRROLFP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.18
Rot. Bonds3

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

1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (PubChem CID 99817602) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
PubChem CID99817602
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H19N3O3/c1-10-3-4-12(17(19)20)9-13(10)15-14(18)11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,18)
InChIKeyDDGAGKKBRROLFP-UHFFFAOYSA-N
XLogP2.18
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.18
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-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
1-acetyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 108804425
(3S)-1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-3-carboxamide
CID 99970167
N-(2-methyl-4-nitrophenyl)cyclopropanecarboxamide
CID 2792229
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
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
1-[3-(2-methyl-5-nitroanilino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907912
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-5-nitroaniline
CID 114516044
2-[(2-methyl-5-nitrophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977998
N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 37177131

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide (CID 99817602) is 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is DDGAGKKBRROLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-3-4-12(17(19)20)9-13(10)15-14(18)11-5-7-16(2)8-6-11/h3-4,9,11H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide?
1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 99817602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).