N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide

C15H21N3O4 — CID 78794586

IUPACN-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCO)CC1
InChIInChI=1S/C15H21N3O4/c1-11-4-7-17(8-5-11)14-3-2-12(18(21)22)10-13(14)15(20)16-6-9-19/h2-3,10-11,19H,4-9H2,1H3,(H,16,20)
InChIKeyNAAJAQONNGCXSA-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.55
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide

N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide (PubChem CID 78794586) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
PubChem CID78794586
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
SMILESCC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCO)CC1
InChIInChI=1S/C15H21N3O4/c1-11-4-7-17(8-5-11)14-3-2-12(18(21)22)10-13(14)15(20)16-6-9-19/h2-3,10-11,19H,4-9H2,1H3,(H,16,20)
InChIKeyNAAJAQONNGCXSA-UHFFFAOYSA-N
XLogP1.55
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
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-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
N-ethyl-N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 110878608
N-[[2-(ethoxymethyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 55599200
N-methyl-2-(3-methylpyrrolidin-1-yl)-5-nitrobenzamide
CID 86879051
2-(4-methylpiperidin-1-yl)-5-nitro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000473
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 55961980
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 24504883
methyl 2-methyl-5-[[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]methyl]furan-3-carboxylate
CID 55612380
N-(4-carbamoylphenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 26252989
N-(2,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 9209368
2,5-dimethyl-N'-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]furan-3-carbohydrazide
CID 40676199
[2-(4-methylpiperidin-1-yl)-5-nitrophenyl]methanol
CID 28963351

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide (CID 78794586) is N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide is CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
The InChIKey is NAAJAQONNGCXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-4-7-17(8-5-11)14-3-2-12(18(21)22)10-13(14)15(20)16-6-9-19/h2-3,10-11,19H,4-9H2,1H3,(H,16,20).
What are the key properties of N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide?
N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide has a molecular weight of 307.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide is sourced from PubChem (CID 78794586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).