N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide

C14H20N4O3 — CID 60944375

IUPACN-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCNCC1
InChIInChI=1S/C14H20N4O3/c1-16(14(19)11-17-7-5-15-6-8-17)10-12-3-2-4-13(9-12)18(20)21/h2-4,9,15H,5-8,10-11H2,1H3
InChIKeyZRHQYXHPXCKXKE-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.46
Rot. Bonds5

About N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide

N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide (PubChem CID 60944375) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
PubChem CID60944375
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide
SMILESCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCNCC1
InChIInChI=1S/C14H20N4O3/c1-16(14(19)11-17-7-5-15-6-8-17)10-12-3-2-4-13(9-12)18(20)21/h2-4,9,15H,5-8,10-11H2,1H3
InChIKeyZRHQYXHPXCKXKE-UHFFFAOYSA-N
XLogP0.46
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.46
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-bromo-N-methyl-N-[(3-nitrophenyl)methyl]acetamide
CID 63681423
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-(1,4-diazepan-1-yl)-1-(3-nitrophenyl)ethanone
CID 62036433
(2S)-N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 61165078
1-amino-N-methyl-N-[(3-nitrophenyl)methyl]cyclopropane-1-carboxamide
CID 65464041
2-(1,4-diazepan-1-yl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 62837368
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-chloro-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54875128
N-methyl-N-[(3-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922746
2-(1,4-diazepan-1-yl)-N-methyl-N-(4-nitrophenyl)acetamide;hydrochloride
CID 119906424
1-(3-methylpiperazin-1-yl)-2-(3-nitrophenyl)ethanone
CID 115737304
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide (CID 60944375) is N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide is CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide?
The InChIKey is ZRHQYXHPXCKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-16(14(19)11-17-7-5-15-6-8-17)10-12-3-2-4-13(9-12)18(20)21/h2-4,9,15H,5-8,10-11H2,1H3.
What are the key properties of N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide?
N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-nitrophenyl)methyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60944375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).