N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride

C14H21ClN4O3 — CID 120599838

IUPACN-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-10-8-11(6-7-15-10)17-14(19)9-16-12-4-2-3-5-13(12)18(20)21;/h2-5,10-11,15-16H,6-9H2,1H3,(H,17,19);1H
InChIKeyVNPSZMWBYZRPSY-UHFFFAOYSA-N
MW328.80 g/mol
LogP1.69
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride

N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride (PubChem CID 120599838) has the molecular formula C14H21ClN4O3 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
PubChem CID120599838
Molecular FormulaC14H21ClN4O3
Molecular Weight328.80 g/mol
Exact Mass328.13
IUPAC NameN-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
SMILESCC1CC(NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1.Cl
InChIInChI=1S/C14H20N4O3.ClH/c1-10-8-11(6-7-15-10)17-14(19)9-16-12-4-2-3-5-13(12)18(20)21;/h2-5,10-11,15-16H,6-9H2,1H3,(H,17,19);1H
InChIKeyVNPSZMWBYZRPSY-UHFFFAOYSA-N
XLogP1.69
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 51.69
H-Bond Donors ≤ 53
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

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-nitroanilino)acetamide;hydrochloride
CID 119458031
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-(2-nitroanilino)acetamide
CID 102554767
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-(2-nitroanilino)acetamide
CID 100850407
N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride
CID 120574846
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
N-(2-methylpiperidin-4-yl)-3,3-diphenylpropanamide
CID 120598997
2-(2-methylphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)acetamide
CID 120600777
2-(2-nitroanilino)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119536497

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride (CID 120599838) is N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride is CC1CC(NC(=O)CNc2ccccc2[N+](=O)[O-])CCN1.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
The InChIKey is VNPSZMWBYZRPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3.ClH/c1-10-8-11(6-7-15-10)17-14(19)9-16-12-4-2-3-5-13(12)18(20)21;/h2-5,10-11,15-16H,6-9H2,1H3,(H,17,19);1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride?
N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride is sourced from PubChem (CID 120599838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).