N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride

C15H21ClN4O4 — CID 119373398

IUPACN-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H20N4O4.ClH/c1-10(15(21)18-7-5-12(16)6-8-18)17-14(20)11-3-2-4-13(9-11)19(22)23;/h2-4,9-10,12H,5-8,16H2,1H3,(H,17,20);1H
InChIKeyOLCUXTATMNRBOI-UHFFFAOYSA-N
MW356.81 g/mol
LogP1.08
Rot. Bonds4

About N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride

N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride (PubChem CID 119373398) has the molecular formula C15H21ClN4O4 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride
PubChem CID119373398
Molecular FormulaC15H21ClN4O4
Molecular Weight356.81 g/mol
Exact Mass356.13
IUPAC NameN-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride
SMILESCC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H20N4O4.ClH/c1-10(15(21)18-7-5-12(16)6-8-18)17-14(20)11-3-2-4-13(9-11)19(22)23;/h2-4,9-10,12H,5-8,16H2,1H3,(H,17,20);1H
InChIKeyOLCUXTATMNRBOI-UHFFFAOYSA-N
XLogP1.08
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 51.08
H-Bond Donors ≤ 52
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-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 119377800
N-[(2S)-1-[(4R)-4-methylazepan-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 94825191
N-[1-(4-aminopiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide;hydrochloride
CID 119373277
N-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51147697
3-nitro-N-[1-oxo-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55376068
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 42160992
ethyl 4-[[(2S)-2-[(3-nitrobenzoyl)amino]propanoyl]amino]piperidine-1-carboxylate
CID 55936203
3-nitro-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 9226398
N-[1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 55564684
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 34426748
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-nitrobenzamide
CID 24758633
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride?
The IUPAC name of N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride (CID 119373398) is N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride.
What is the SMILES notation for N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride?
The canonical SMILES for N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride is CC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride?
The InChIKey is OLCUXTATMNRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4.ClH/c1-10(15(21)18-7-5-12(16)6-8-18)17-14(20)11-3-2-4-13(9-11)19(22)23;/h2-4,9-10,12H,5-8,16H2,1H3,(H,17,20);1H.
What are the key properties of N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride?
N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride has a molecular weight of 356.81 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]-3-nitrobenzamide;hydrochloride is sourced from PubChem (CID 119373398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).