2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide

C20H24N3O4+ — CID 7447475

IUPAC2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H23N3O4/c24-20(15-27-19-10-8-18(9-11-19)23(25)26)21-17-6-4-16(5-7-17)14-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,24)/p+1
InChIKeyPETYAVJHPJMMDK-UHFFFAOYSA-O
MW370.43 g/mol
LogP2.18
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide

2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide (PubChem CID 7447475) has the molecular formula C20H24N3O4+ and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
PubChem CID7447475
Molecular FormulaC20H24N3O4+
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCC2)cc1
InChIInChI=1S/C20H23N3O4/c24-20(15-27-19-10-8-18(9-11-19)23(25)26)21-17-6-4-16(5-7-17)14-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,24)/p+1
InChIKeyPETYAVJHPJMMDK-UHFFFAOYSA-O
XLogP2.18
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.18
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 7008738
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenoxy]acetate
CID 7446902
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide (CID 7447475) is 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(C[NH+]2CCCCC2)cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide?
The InChIKey is PETYAVJHPJMMDK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O4/c24-20(15-27-19-10-8-18(9-11-19)23(25)26)21-17-6-4-16(5-7-17)14-22-12-2-1-3-13-22/h4-11H,1-3,12-15H2,(H,21,24)/p+1.
What are the key properties of 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide?
2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 7447475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).