N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride

C15H23ClN4O3 — CID 120574846

IUPACN-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCNc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-11-12(6-4-9-16-11)18-15(20)8-10-17-13-5-2-3-7-14(13)19(21)22;/h2-3,5,7,11-12,16-17H,4,6,8-10H2,1H3,(H,18,20);1H
InChIKeyATWHYRGRHOJEHB-UHFFFAOYSA-N
MW342.83 g/mol
LogP2.08
Rot. Bonds6

About N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride

N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride (PubChem CID 120574846) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride
PubChem CID120574846
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCNc1ccccc1[N+](=O)[O-].Cl
InChIInChI=1S/C15H22N4O3.ClH/c1-11-12(6-4-9-16-11)18-15(20)8-10-17-13-5-2-3-7-14(13)19(21)22;/h2-3,5,7,11-12,16-17H,4,6,8-10H2,1H3,(H,18,20);1H
InChIKeyATWHYRGRHOJEHB-UHFFFAOYSA-N
XLogP2.08
TPSA96.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 52.08
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-[2-(aminomethyl)cyclohexyl]-3-(2-nitroanilino)propanamide;hydrochloride
CID 119609788
methyl 1-[(1R,2R)-2-[3-(2-nitroanilino)propanoylamino]cyclohexyl]triazole-4-carboxylate
CID 51963253
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
1-(3-methylpiperazin-1-yl)-3-(2-nitroanilino)propan-1-one;hydrochloride
CID 119577070
N-(2-methylpiperidin-4-yl)-2-(2-nitroanilino)acetamide;hydrochloride
CID 120599838
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-nitroanilino)propanamide
CID 119572924
3-(2-bromophenyl)sulfanyl-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120573590
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120577814
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-nitroanilino)propanamide
CID 55950137
2-cyclopropyl-2-[3-(2-nitroanilino)propanoylamino]acetic acid
CID 119213261
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride (CID 120574846) is N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride is CC1NCCCC1NC(=O)CCNc1ccccc1[N+](=O)[O-].Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride?
The InChIKey is ATWHYRGRHOJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c1-11-12(6-4-9-16-11)18-15(20)8-10-17-13-5-2-3-7-14(13)19(21)22;/h2-3,5,7,11-12,16-17H,4,6,8-10H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(2-nitroanilino)propanamide;hydrochloride is sourced from PubChem (CID 120574846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).