N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide

C19H29N3O3 — CID 60569147

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCC(C)(C)N2CC(C)CC(C)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H29N3O3/c1-13-9-14(2)11-21(10-13)19(4,5)12-20-18(23)16-7-6-8-17(15(16)3)22(24)25/h6-8,13-14H,9-12H2,1-5H3,(H,20,23)
InChIKeyWPRVLDMWUXUWTJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.39
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide (PubChem CID 60569147) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide
PubChem CID60569147
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCC(C)(C)N2CC(C)CC(C)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H29N3O3/c1-13-9-14(2)11-21(10-13)19(4,5)12-20-18(23)16-7-6-8-17(15(16)3)22(24)25/h6-8,13-14H,9-12H2,1-5H3,(H,20,23)
InChIKeyWPRVLDMWUXUWTJ-UHFFFAOYSA-N
XLogP3.39
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.39
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-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-5-methylsulfanyl-2-nitrobenzamide
CID 60569339
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-3-nitrobenzamide
CID 113295031
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
CID 60534688
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-(1-adamantyl)-2-methyl-3-nitrobenzamide
CID 4003058
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
2-chloro-N-(2-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 104759986

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide (CID 60569147) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NCC(C)(C)N2CC(C)CC(C)C2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide?
The InChIKey is WPRVLDMWUXUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-9-14(2)11-21(10-13)19(4,5)12-20-18(23)16-7-6-8-17(15(16)3)22(24)25/h6-8,13-14H,9-12H2,1-5H3,(H,20,23).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide has a molecular weight of 347.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 60569147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).