N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide

C21H20N4O3 — CID 47044541

IUPACN-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c26-21(15-5-2-1-3-6-15)23-16-10-13-24(14-11-16)19-9-8-18-17(7-4-12-22-18)20(19)25(27)28/h1-9,12,16H,10-11,13-14H2,(H,23,26)
InChIKeyHKSUPMFVJXFZQK-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.54
Rot. Bonds4

About N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide

N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide (PubChem CID 47044541) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
PubChem CID47044541
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)c1ccccc1
InChIInChI=1S/C21H20N4O3/c26-21(15-5-2-1-3-6-15)23-16-10-13-24(14-11-16)19-9-8-18-17(7-4-12-22-18)20(19)25(27)28/h1-9,12,16H,10-11,13-14H2,(H,23,26)
InChIKeyHKSUPMFVJXFZQK-UHFFFAOYSA-N
XLogP3.54
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.54
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

5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
CID 71892028
5-nitro-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]quinoline
CID 133300760
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850
N-[1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperidin-4-yl]benzamide
CID 24587906
[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
CID 47044516
N-[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidin-4-yl]benzamide
CID 24587920
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
(2,5-dimethylfuran-3-yl)-[4-(5-nitroquinolin-6-yl)piperazin-1-yl]methanone
CID 47054757
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
methyl 2-(5-nitroquinolin-6-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450114
6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-nitroquinoline
CID 112839868
N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide (CID 47044541) is N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1)c1ccccc1.
What is the InChIKey of N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide?
The InChIKey is HKSUPMFVJXFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(15-5-2-1-3-6-15)23-16-10-13-24(14-11-16)19-9-8-18-17(7-4-12-22-18)20(19)25(27)28/h1-9,12,16H,10-11,13-14H2,(H,23,26).
What are the key properties of N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide?
N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 47044541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).