4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide

C20H22N4O4 — CID 23875488

IUPAC4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide
SMILESCC(C(=O)N1CCNCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-14(20(26)23-12-10-21-11-13-23)15-2-6-17(7-3-15)22-19(25)16-4-8-18(9-5-16)24(27)28/h2-9,14,21H,10-13H2,1H3,(H,22,25)
InChIKeyNDCCDPCWMXSXIU-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.38
Rot. Bonds5

About 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide

4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide (PubChem CID 23875488) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide
PubChem CID23875488
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide
SMILESCC(C(=O)N1CCNCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H22N4O4/c1-14(20(26)23-12-10-21-11-13-23)15-2-6-17(7-3-15)22-19(25)16-4-8-18(9-5-16)24(27)28/h2-9,14,21H,10-13H2,1H3,(H,22,25)
InChIKeyNDCCDPCWMXSXIU-UHFFFAOYSA-N
XLogP2.38
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.38
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-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-3,4-dimethylbenzamide
CID 23875556
N-(4-nitrophenyl)piperazine-1-carboxamide
CID 22614387
(2S)-1-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)propan-1-one
CID 894794
4-nitro-N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]benzamide
CID 11406430
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide
CID 16943068
N-(4-nitrophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2965881
N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
potassium 4-[(4-nitrobenzoyl)amino]benzenesulfonic acid
CID 54607027
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide?
The IUPAC name of 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide (CID 23875488) is 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide is CC(C(=O)N1CCNCC1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide?
The InChIKey is NDCCDPCWMXSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-14(20(26)23-12-10-21-11-13-23)15-2-6-17(7-3-15)22-19(25)16-4-8-18(9-5-16)24(27)28/h2-9,14,21H,10-13H2,1H3,(H,22,25).
What are the key properties of 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide?
4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide has a molecular weight of 382.42 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[4-(1-oxo-1-piperazin-1-ylpropan-2-yl)phenyl]benzamide is sourced from PubChem (CID 23875488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).