3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide

C14H19N3O4 — CID 119427117

IUPAC3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
SMILESO=C(CCOc1ccccc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C14H19N3O4/c18-14(16-11-4-3-8-15-10-11)7-9-21-13-6-2-1-5-12(13)17(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18)
InChIKeySSGLFVLNEQUXEB-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.23
Rot. Bonds6

About 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide

3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide (PubChem CID 119427117) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
PubChem CID119427117
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide
SMILESO=C(CCOc1ccccc1[N+](=O)[O-])NC1CCCNC1
InChIInChI=1S/C14H19N3O4/c18-14(16-11-4-3-8-15-10-11)7-9-21-13-6-2-1-5-12(13)17(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18)
InChIKeySSGLFVLNEQUXEB-UHFFFAOYSA-N
XLogP1.23
TPSA93.50 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 ≤ 51.23
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-nitrophenoxy)-N-piperidin-4-ylpropanamide
CID 119388489
2-(2-nitrophenoxy)-N-piperidin-3-ylacetamide
CID 119426166
3-(4-chloro-2-nitrophenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119426675
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482
N-[2-(cycloheptylamino)ethyl]-3-(2-nitrophenoxy)propanamide
CID 119620500
1-(2-methylpiperazin-1-yl)-3-(2-nitrophenoxy)propan-1-one
CID 119472090
2-(2-nitrophenoxy)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556766
N-cyclopropyl-2-[methyl-[2-(2-nitrophenoxy)ethyl]amino]acetamide
CID 87013578
3-(2,3-dimethylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119454143
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
3-(2-bromophenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119385928
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2-nitrophenoxy)propan-1-one
CID 120739166

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide?
The IUPAC name of 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide (CID 119427117) is 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide.
What is the SMILES notation for 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide?
The canonical SMILES for 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide is O=C(CCOc1ccccc1[N+](=O)[O-])NC1CCCNC1.
What is the InChIKey of 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide?
The InChIKey is SSGLFVLNEQUXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-14(16-11-4-3-8-15-10-11)7-9-21-13-6-2-1-5-12(13)17(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,16,18).
What are the key properties of 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide?
3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide has a molecular weight of 293.32 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenoxy)-N-piperidin-3-ylpropanamide is sourced from PubChem (CID 119427117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).