2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide

C14H19N3O3 — CID 106739170

IUPAC2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1
InChIInChI=1S/C14H19N3O3/c1-10-8-12(6-7-15-10)14(18)16-9-11-2-4-13(5-3-11)17(19)20/h2-5,10,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyQYVZNJCAGOJYCS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.60
Rot. Bonds4

About 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide

2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide (PubChem CID 106739170) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
PubChem CID106739170
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
SMILESCC1CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1
InChIInChI=1S/C14H19N3O3/c1-10-8-12(6-7-15-10)14(18)16-9-11-2-4-13(5-3-11)17(19)20/h2-5,10,12,15H,6-9H2,1H3,(H,16,18)
InChIKeyQYVZNJCAGOJYCS-UHFFFAOYSA-N
XLogP1.60
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
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

(2S,4S)-2-methyl-N-[4-(4-nitrophenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120631574
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
N-[(4-nitrophenyl)methyl]cyclopropanecarboxamide
CID 61062523
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
2-methyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 106739038
3-amino-N-[(4-nitrophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119708431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide (CID 106739170) is 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is CC1CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCN1.
What is the InChIKey of 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QYVZNJCAGOJYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-8-12(6-7-15-10)14(18)16-9-11-2-4-13(5-3-11)17(19)20/h2-5,10,12,15H,6-9H2,1H3,(H,16,18).
What are the key properties of 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide?
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 106739170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).