2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide

C20H23N3O3 — CID 34454824

IUPAC2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H23N3O3/c24-20(14-16-7-9-19(10-8-16)23(25)26)21-18-6-4-5-17(13-18)15-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14-15H2,(H,21,24)
InChIKeyCQSFADRUJZRNSE-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.76
Rot. Bonds6

About 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide

2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 34454824) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID34454824
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C20H23N3O3/c24-20(14-16-7-9-19(10-8-16)23(25)26)21-18-6-4-5-17(13-18)15-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14-15H2,(H,21,24)
InChIKeyCQSFADRUJZRNSE-UHFFFAOYSA-N
XLogP3.76
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.76
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

N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 16608517
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661
N-[3-(carbamoylamino)phenyl]-2-(4-nitrophenyl)acetamide
CID 34110855
2-(4-nitrophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969055
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
2-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethoxy]acetic acid
CID 61326883

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide (CID 34454824) is 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is CQSFADRUJZRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(14-16-7-9-19(10-8-16)23(25)26)21-18-6-4-5-17(13-18)15-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14-15H2,(H,21,24).
What are the key properties of 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 34454824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).