3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide

C14H19N3O4 — CID 115736888

IUPAC3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCCCN2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-8-10(5-6-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyIFJICOSXVQWKQN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.48
Rot. Bonds5

About 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide

3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide (PubChem CID 115736888) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
PubChem CID115736888
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCCCN2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-21-13-8-10(5-6-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyIFJICOSXVQWKQN-UHFFFAOYSA-N
XLogP1.48
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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

3-methoxy-4-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512053
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
4-ethyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514180
4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 55084346
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119620212
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-nitrobenzamide
CID 106128710
4-methoxy-N-(morpholin-3-ylmethyl)-3-nitrobenzamide
CID 103548627
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511711
N-(azepan-4-yl)-3-methoxy-4-nitrobenzamide
CID 105061010
N-(2-chloro-2-cyclopropylethyl)-3-methoxy-4-nitrobenzamide
CID 104784801

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide (CID 115736888) is 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide is COc1cc(C(=O)NCC2CCCCN2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide?
The InChIKey is IFJICOSXVQWKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-8-10(5-6-12(13)17(19)20)14(18)16-9-11-4-2-3-7-15-11/h5-6,8,11,15H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide?
3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-nitro-N-(piperidin-2-ylmethyl)benzamide is sourced from PubChem (CID 115736888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).