2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

C20H21N3O5 — CID 4936008

IUPAC2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H21N3O5/c24-19(14-28-16-10-8-15(9-11-16)23(26)27)21-18-7-3-2-6-17(18)20(25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)
InChIKeyPZNRHJYOAKVYCC-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4936008) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID4936008
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C20H21N3O5/c24-19(14-28-16-10-8-15(9-11-16)23(26)27)21-18-7-3-2-6-17(18)20(25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24)
InChIKeyPZNRHJYOAKVYCC-UHFFFAOYSA-N
XLogP3.24
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.24
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-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
2-(4-acetylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 26905349
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
2-(4-nitrophenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 888916
2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
CID 4945414
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-nitrophenoxy)propanamide
CID 4951317
N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
CID 7816683
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-(3-chloro-2-piperidin-1-ylphenyl)-2-(4-nitrophenoxy)acetamide
CID 1252873
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17093269
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 55770978
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 9319624

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (CID 4936008) is 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is PZNRHJYOAKVYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-19(14-28-16-10-8-15(9-11-16)23(26)27)21-18-7-3-2-6-17(18)20(25)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-14H2,(H,21,24).
What are the key properties of 2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
2-(4-nitrophenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 383.40 g/mol, XLogP of 3.24, 6 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-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4936008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).