2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

C12H16N4O3 — CID 22198584

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H16N4O3/c13-12(17)9-14-5-7-15(8-6-14)10-1-3-11(4-2-10)16(18)19/h1-4H,5-9H2,(H2,13,17)
InChIKeyVYWMJDLLSBJNAE-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.20
Rot. Bonds4

About 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 22198584) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID22198584
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C12H16N4O3/c13-12(17)9-14-5-7-15(8-6-14)10-1-3-11(4-2-10)16(18)19/h1-4H,5-9H2,(H2,13,17)
InChIKeyVYWMJDLLSBJNAE-UHFFFAOYSA-N
XLogP0.20
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamine
CID 28913887
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 69030139
ethyl 4-[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]piperazine-1-carboxylate
CID 8590983
N-(5-chloro-2-pyridinyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198595
(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66710890
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 87019545
[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 59047037
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 27173385
N-(3,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 8590859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (CID 22198584) is 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is VYWMJDLLSBJNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c13-12(17)9-14-5-7-15(8-6-14)10-1-3-11(4-2-10)16(18)19/h1-4H,5-9H2,(H2,13,17).
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22198584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).