N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide

C15H21N3O3 — CID 46801133

IUPACN-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11-6-7-13(9-14(11)18(20)21)16-15(19)10-17-8-4-3-5-12(17)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,19)
InChIKeyWYPZXYKDNWEBMC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide

N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide (PubChem CID 46801133) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
PubChem CID46801133
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCCCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C15H21N3O3/c1-11-6-7-13(9-14(11)18(20)21)16-15(19)10-17-8-4-3-5-12(17)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,19)
InChIKeyWYPZXYKDNWEBMC-UHFFFAOYSA-N
XLogP2.72
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
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-[2-fluoro-5-[[2-(2-methylpiperidin-1-yl)acetyl]amino]phenyl]-4-methyl-3-nitrobenzamide
CID 42961889
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157
2-[[(1S,2R)-2-methylcyclohexyl]amino]-N-(4-methyl-3-nitrophenyl)acetamide
CID 8890661
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918
N-(4-iodophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697962
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(4-tert-butylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 18078471
N-(3-methylbutan-2-yl)-1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 47091080

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide (CID 46801133) is N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCCCC2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide?
The InChIKey is WYPZXYKDNWEBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-7-13(9-14(11)18(20)21)16-15(19)10-17-8-4-3-5-12(17)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,16,19).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide?
N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-(2-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 46801133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).