N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide

C14H19N3O3 — CID 114696422

IUPACN-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
SMILESCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCNCC1
InChIInChI=1S/C14H19N3O3/c1-14(5-7-15-8-6-14)16-13(18)10-11-3-2-4-12(9-11)17(19)20/h2-4,9,15H,5-8,10H2,1H3,(H,16,18)
InChIKeyRQSWCIVQCJFQCG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds4

About N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide

N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide (PubChem CID 114696422) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
PubChem CID114696422
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide
SMILESCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCNCC1
InChIInChI=1S/C14H19N3O3/c1-14(5-7-15-8-6-14)16-13(18)10-11-3-2-4-12(9-11)17(19)20/h2-4,9,15H,5-8,10H2,1H3,(H,16,18)
InChIKeyRQSWCIVQCJFQCG-UHFFFAOYSA-N
XLogP1.40
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
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

1-[[2-(3-nitrophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 115910172
sodium 2-(3-nitrophenyl)acetate
CID 20571503
N-(azetidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 113265632
N-[(2S)-1-hydroxypropan-2-yl]-2-(3-nitrophenyl)acetamide
CID 103820765
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(3-nitrophenyl)acetamide
CID 71848857
2-methoxy-N-(4-methylpiperidin-4-yl)-4-nitrobenzamide
CID 114696408
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-nitrophenyl)acetamide
CID 103772956
1-(3-methylpiperazin-1-yl)-2-(3-nitrophenyl)ethanone
CID 115737304
2-(3-nitrophenyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 91660403
2-(3-nitrophenyl)-N-prop-2-ynylacetamide
CID 115649182
N-(4-methylpiperidin-4-yl)-3-nitrobenzenesulfonamide
CID 114696731
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(3-nitrophenyl)ethanone
CID 104541039

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide?
The IUPAC name of N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide (CID 114696422) is N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide?
The canonical SMILES for N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide is CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCNCC1.
What is the InChIKey of N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide?
The InChIKey is RQSWCIVQCJFQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(5-7-15-8-6-14)16-13(18)10-11-3-2-4-12(9-11)17(19)20/h2-4,9,15H,5-8,10H2,1H3,(H,16,18).
What are the key properties of N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide?
N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperidin-4-yl)-2-(3-nitrophenyl)acetamide is sourced from PubChem (CID 114696422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).