N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

C20H24N4O4 — CID 51167725

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-15(22-10-12-23(13-11-22)16-6-4-3-5-7-16)20(25)21-18-14-17(24(26)27)8-9-19(18)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)
InChIKeyLRVIMOXFBARROZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.75
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide

N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 51167725) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID51167725
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H24N4O4/c1-15(22-10-12-23(13-11-22)16-6-4-3-5-7-16)20(25)21-18-14-17(24(26)27)8-9-19(18)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,21,25)
InChIKeyLRVIMOXFBARROZ-UHFFFAOYSA-N
XLogP2.75
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368536
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
(2R)-2-[4-[(2R)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221210
(2S)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221207
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55494767
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688749
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 41093099
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 86885538
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
CID 47535135

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide (CID 51167725) is N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is LRVIMOXFBARROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-15(22-10-12-23(13-11-22)16-6-4-3-5-7-16)20(25)21-18-14-17(24(26)27)8-9-19(18)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide?
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 51167725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).