4-nitro-3-(2-piperidin-3-ylethoxy)benzamide

C14H19N3O4 — CID 82992578

IUPAC4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(OCCC2CCCNC2)c1
InChIInChI=1S/C14H19N3O4/c15-14(18)11-3-4-12(17(19)20)13(8-11)21-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H2,15,18)
InChIKeyBUBDNTFHNFAZDW-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.46
Rot. Bonds6

About 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide

4-nitro-3-(2-piperidin-3-ylethoxy)benzamide (PubChem CID 82992578) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide.

Molecular Properties

Compound Name4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
PubChem CID82992578
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-nitro-3-(2-piperidin-3-ylethoxy)benzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(OCCC2CCCNC2)c1
InChIInChI=1S/C14H19N3O4/c15-14(18)11-3-4-12(17(19)20)13(8-11)21-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H2,15,18)
InChIKeyBUBDNTFHNFAZDW-UHFFFAOYSA-N
XLogP1.46
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.46
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-[2-(5-chloro-2-nitrophenoxy)ethyl]piperidine
CID 62357045
3-[2-(3-chloro-4-nitrophenoxy)ethyl]piperidine
CID 62356879
7-nitro-4-(2-piperidin-3-ylethoxy)-2,1,3-benzoxadiazole
CID 62358034
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
5-nitro-2-(2-piperidin-3-ylethoxy)pyridine-3-carboxamide
CID 62358030
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[2-(3-chloro-2-nitrophenoxy)ethyl]piperidine
CID 104839552
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
CID 79577781

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide?
The IUPAC name of 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide (CID 82992578) is 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide.
What is the SMILES notation for 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide?
The canonical SMILES for 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide is NC(=O)c1ccc([N+](=O)[O-])c(OCCC2CCCNC2)c1.
What is the InChIKey of 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide?
The InChIKey is BUBDNTFHNFAZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-14(18)11-3-4-12(17(19)20)13(8-11)21-7-5-10-2-1-6-16-9-10/h3-4,8,10,16H,1-2,5-7,9H2,(H2,15,18).
What are the key properties of 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide?
4-nitro-3-(2-piperidin-3-ylethoxy)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-(2-piperidin-3-ylethoxy)benzamide is sourced from PubChem (CID 82992578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).