N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide

C14H19N3O4 — CID 61029592

IUPACN-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-21-13-9-11(17(19)20)2-3-12(13)16-14(18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18)
InChIKeyNOMPUKYVBMWYJX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide

N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide (PubChem CID 61029592) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
PubChem CID61029592
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CC1CCNCC1
InChIInChI=1S/C14H19N3O4/c1-21-13-9-11(17(19)20)2-3-12(13)16-14(18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18)
InChIKeyNOMPUKYVBMWYJX-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-methoxy-4-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79708090
N-(2-methyl-5-nitrophenyl)-2-piperidin-4-ylacetamide
CID 61029345
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methoxy-4-nitrophenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108513058
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
N-(4,5-dimethyl-2-nitrophenyl)-2-piperidin-4-ylacetamide
CID 62098447
N-(2-methoxy-5-methylphenyl)-2-piperidin-4-ylacetamide
CID 24692557
N-(3-nitrophenyl)-2-piperidin-4-ylacetamide
CID 119670753
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240
2-(azepan-1-ium-1-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8025227
1-cyclopropyl-3-(2-methoxy-4-nitrophenyl)urea
CID 108887567

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide (CID 61029592) is N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CC1CCNCC1.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide?
The InChIKey is NOMPUKYVBMWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-9-11(17(19)20)2-3-12(13)16-14(18)8-10-4-6-15-7-5-10/h2-3,9-10,15H,4-8H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide?
N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-piperidin-4-ylacetamide is sourced from PubChem (CID 61029592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).