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

C21H25N3O3 — CID 8969055

IUPAC2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-21(14-17-8-10-20(11-9-17)24(26)27)22-15-18-6-2-3-7-19(18)16-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25)
InChIKeyOZCGZSJRYGYNFQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.44
Rot. Bonds7

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

2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8969055) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID8969055
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C21H25N3O3/c25-21(14-17-8-10-20(11-9-17)24(26)27)22-15-18-6-2-3-7-19(18)16-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25)
InChIKeyOZCGZSJRYGYNFQ-UHFFFAOYSA-N
XLogP3.44
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
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

4-nitro-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9142408
2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41437994
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55615606
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 34454824
3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119869683
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 134021384
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
2-(3-fluoro-4-methoxyphenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143639

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 8969055) is 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is OZCGZSJRYGYNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-21(14-17-8-10-20(11-9-17)24(26)27)22-15-18-6-2-3-7-19(18)16-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,25).
What are the key properties of 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8969055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).