2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide

C14H19N3O4 — CID 114696408

IUPAC2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H19N3O4/c1-14(5-7-15-8-6-14)16-13(18)11-4-3-10(17(19)20)9-12(11)21-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,18)
InChIKeyGHLXLDHGHUBXGX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.48
Rot. Bonds4

About 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide

2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide (PubChem CID 114696408) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide
PubChem CID114696408
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide
SMILESCOc1cc([N+](=O)[O-])ccc1C(=O)NC1(C)CCNCC1
InChIInChI=1S/C14H19N3O4/c1-14(5-7-15-8-6-14)16-13(18)11-4-3-10(17(19)20)9-12(11)21-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,18)
InChIKeyGHLXLDHGHUBXGX-UHFFFAOYSA-N
XLogP1.48
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N,2-dimethoxy-4-nitrobenzamide
CID 44632214
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-methoxy-4-nitrobenzoate
CID 6995516
3,5-dimethoxy-4-methyl-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567388
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methoxy-4-nitrobenzamide
CID 114758144
N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
CID 114696422
3-fluoro-N-(4-methylpiperidin-4-yl)-5-nitrobenzamide
CID 114696332
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
N-(1-cyanopropyl)-2-methoxy-4-nitrobenzamide
CID 104783373
N-(2-bromo-4-methylpentyl)-2-methoxy-4-nitrobenzamide
CID 107157781

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide?
The IUPAC name of 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide (CID 114696408) is 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide?
The canonical SMILES for 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide is COc1cc([N+](=O)[O-])ccc1C(=O)NC1(C)CCNCC1.
What is the InChIKey of 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide?
The InChIKey is GHLXLDHGHUBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(5-7-15-8-6-14)16-13(18)11-4-3-10(17(19)20)9-12(11)21-2/h3-4,9,15H,5-8H2,1-2H3,(H,16,18).
What are the key properties of 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide?
2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide is sourced from PubChem (CID 114696408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).