(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide

C14H20N4O3 — CID 8896328

IUPAC(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C)CC1
InChIInChI=1S/C14H20N4O3/c1-11(17-9-7-16(2)8-10-17)14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6,11H,7-10H2,1-2H3,(H,15,19)/t11-/m1/s1
InChIKeyPHRPBVQBPDXVGX-LLVKDONJSA-N
MW292.34 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide

(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide (PubChem CID 8896328) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
PubChem CID8896328
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C)CC1
InChIInChI=1S/C14H20N4O3/c1-11(17-9-7-16(2)8-10-17)14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6,11H,7-10H2,1-2H3,(H,15,19)/t11-/m1/s1
InChIKeyPHRPBVQBPDXVGX-LLVKDONJSA-N
XLogP1.17
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
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
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
N-benzyl-1-[1-(2-nitroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 45351239
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46801609
N-(2,3-dichlorophenyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55351358

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide (CID 8896328) is (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide is C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
The InChIKey is PHRPBVQBPDXVGX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11(17-9-7-16(2)8-10-17)14(19)15-12-5-3-4-6-13(12)18(20)21/h3-6,11H,7-10H2,1-2H3,(H,15,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide?
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide has a molecular weight of 292.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 8896328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).