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

C21H25N3O4 — CID 41437994

IUPAC2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C21H25N3O4/c25-21(16-28-20-10-8-19(9-11-20)24(26)27)22-14-17-6-2-3-7-18(17)15-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25)
InChIKeyCFSHIWAORZDCTF-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.28
Rot. Bonds8

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

2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 41437994) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID41437994
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C21H25N3O4/c25-21(16-28-20-10-8-19(9-11-20)24(26)27)22-14-17-6-2-3-7-18(17)15-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25)
InChIKeyCFSHIWAORZDCTF-UHFFFAOYSA-N
XLogP3.28
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
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

2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969055
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969266
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 2943783
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 2959437
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 41437994) is 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is CFSHIWAORZDCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-21(16-28-20-10-8-19(9-11-20)24(26)27)22-14-17-6-2-3-7-18(17)15-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25).
What are the key properties of 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 41437994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).