2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide

C19H28N4O4 — CID 78809781

IUPAC2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H28N4O4/c1-2-7-21-8-5-15(6-9-21)20-19(24)17-14-16(23(25)26)3-4-18(17)22-10-12-27-13-11-22/h3-4,14-15H,2,5-13H2,1H3,(H,20,24)
InChIKeyNDCYXDZYSLZDGK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.04
Rot. Bonds6

About 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide

2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 78809781) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID78809781
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H28N4O4/c1-2-7-21-8-5-15(6-9-21)20-19(24)17-14-16(23(25)26)3-4-18(17)22-10-12-27-13-11-22/h3-4,14-15H,2,5-13H2,1H3,(H,20,24)
InChIKeyNDCYXDZYSLZDGK-UHFFFAOYSA-N
XLogP2.04
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
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

N-(4-hydroxycyclohexyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 78767414
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
2-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide
CID 26244501
N-cyclooctyl-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 56777624
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55782073
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-yl-5-nitrobenzamide
CID 5298951
N'-ethyl-N'-(4-methylphenyl)-2-morpholin-4-yl-5-nitrobenzohydrazide
CID 9182334
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642
2-(ethylamino)-5-nitro-N-(oxan-4-yl)benzamide
CID 62170102

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide (CID 78809781) is 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is NDCYXDZYSLZDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-2-7-21-8-5-15(6-9-21)20-19(24)17-14-16(23(25)26)3-4-18(17)22-10-12-27-13-11-22/h3-4,14-15H,2,5-13H2,1H3,(H,20,24).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide?
2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 78809781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).