N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide

C15H22N4O4 — CID 171546733

IUPACN-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2CC(=O)NCCO)CC1
InChIInChI=1S/C15H22N4O4/c1-17-5-7-18(8-6-17)14-3-2-13(19(22)23)10-12(14)11-15(21)16-4-9-20/h2-3,10,20H,4-9,11H2,1H3,(H,16,21)
InChIKeyZVKINHZFVANPCX-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.00
Rot. Bonds6

About N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide

N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide (PubChem CID 171546733) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide
PubChem CID171546733
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2CC(=O)NCCO)CC1
InChIInChI=1S/C15H22N4O4/c1-17-5-7-18(8-6-17)14-3-2-13(19(22)23)10-12(14)11-15(21)16-4-9-20/h2-3,10,20H,4-9,11H2,1H3,(H,16,21)
InChIKeyZVKINHZFVANPCX-UHFFFAOYSA-N
XLogP-0.00
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

methyl 2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetate
CID 170335545
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 78794586
2-(5-nitro-2-pyrrolidin-1-ylphenyl)acetic acid
CID 70552620
N-(2-hydroxyethyl)-2-(4-nitrophenyl)acetamide
CID 2054852
4-fluoro-3,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
CID 127046421
2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzonitrile
CID 9311454
(4-fluorophenyl)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanone
CID 10807301
(4-bromophenyl)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methanone
CID 2926010
4-(2-cyano-4-nitrophenyl)-N-ethylpiperazine-1-carboxamide
CID 78818906
methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate
CID 17274872
[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanol
CID 28963351

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide (CID 171546733) is N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide is CN1CCN(c2ccc([N+](=O)[O-])cc2CC(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide?
The InChIKey is ZVKINHZFVANPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-17-5-7-18(8-6-17)14-3-2-13(19(22)23)10-12(14)11-15(21)16-4-9-20/h2-3,10,20H,4-9,11H2,1H3,(H,16,21).
What are the key properties of N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide?
N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]acetamide is sourced from PubChem (CID 171546733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).