2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide

C14H19N3O4 — CID 47054291

IUPAC2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O4/c1-21-10-14(18)15-11-6-8-16(9-7-11)12-2-4-13(5-3-12)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18)
InChIKeyXGPYJPCHTZKITO-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds5

About 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide

2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide (PubChem CID 47054291) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
PubChem CID47054291
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
SMILESCOCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H19N3O4/c1-21-10-14(18)15-11-6-8-16(9-7-11)12-2-4-13(5-3-12)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18)
InChIKeyXGPYJPCHTZKITO-UHFFFAOYSA-N
XLogP1.33
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-2-methoxyacetamide
CID 51099314
N-[1-(4-nitrophenyl)pyrrolidin-3-yl]propanamide
CID 91082159
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
2-methoxy-N-[1-[(5-nitroindazol-1-yl)methyl]piperidin-4-yl]acetamide
CID 47060658
methyl N-[1-(4-nitrophenyl)azetidin-3-yl]carbamate
CID 140514379
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
[2-methyl-1-[1-(4-nitrophenyl)piperidin-4-yl]propan-2-yl]carbamic acid
CID 175034758
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
CID 9033186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide (CID 47054291) is 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide is COCC(=O)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide?
The InChIKey is XGPYJPCHTZKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-10-14(18)15-11-6-8-16(9-7-11)12-2-4-13(5-3-12)17(19)20/h2-5,11H,6-10H2,1H3,(H,15,18).
What are the key properties of 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide?
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide has a molecular weight of 293.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 47054291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).