2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide

C15H22N4O3 — CID 119919331

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
SMILESCNC1CCCN(C(C)C(=O)Nc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N4O3/c1-11(18-9-5-6-12(10-18)16-2)15(20)17-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyDNJAEUCGVGOYKA-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.61
Rot. Bonds5

About 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide

2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide (PubChem CID 119919331) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
PubChem CID119919331
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
SMILESCNC1CCCN(C(C)C(=O)Nc2ccccc2[N+](=O)[O-])C1
InChIInChI=1S/C15H22N4O3/c1-11(18-9-5-6-12(10-18)16-2)15(20)17-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyDNJAEUCGVGOYKA-UHFFFAOYSA-N
XLogP1.61
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.61
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-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
(2R)-N-(2-nitrophenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 100858045
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
N-(2-nitrophenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]propanamide
CID 71846089
(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
CID 97067721
N-(2,6-difluorophenyl)-2-[3-(methylamino)piperidin-1-yl]propanamide;hydrochloride
CID 119918498
1-[1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905069
N-benzyl-1-[1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 45351239
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide (CID 119919331) is 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide is CNC1CCCN(C(C)C(=O)Nc2ccccc2[N+](=O)[O-])C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide?
The InChIKey is DNJAEUCGVGOYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(18-9-5-6-12(10-18)16-2)15(20)17-13-7-3-4-8-14(13)19(21)22/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide?
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 119919331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).