N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide

C19H24N4O3 — CID 49431600

IUPACN-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C19H24N4O3/c1-2-3-10-21-19(24)14-6-5-12-22(13-14)17-9-8-16(23(25)26)15-7-4-11-20-18(15)17/h4,7-9,11,14H,2-3,5-6,10,12-13H2,1H3,(H,21,24)
InChIKeyDZECYUZDXPNDDG-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.28
Rot. Bonds6

About N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide

N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide (PubChem CID 49431600) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
PubChem CID49431600
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1
InChIInChI=1S/C19H24N4O3/c1-2-3-10-21-19(24)14-6-5-12-22(13-14)17-9-8-16(23(25)26)15-7-4-11-20-18(15)17/h4,7-9,11,14H,2-3,5-6,10,12-13H2,1H3,(H,21,24)
InChIKeyDZECYUZDXPNDDG-UHFFFAOYSA-N
XLogP3.28
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-butyl-1-(2-nitrophenyl)piperidine-3-carboxamide
CID 49431649
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
N-butyl-1-(6-nitro-4-oxo-3H-quinazolin-7-yl)piperidine-3-carboxamide
CID 137263987
2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
CID 133315227
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-butyl-1-[3-(methanesulfonamido)-2-pyridinyl]piperidine-3-carboxamide
CID 50842301
N-[(2S)-butan-2-yl]-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]acetamide
CID 25332109
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561
1-(2-methyl-8-nitroquinolin-4-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 133436999
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
N-hexyl-1-(2-nitrobenzoyl)piperidine-3-carboxamide
CID 60608535

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide (CID 49431600) is N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(c2ccc([N+](=O)[O-])c3cccnc23)C1.
What is the InChIKey of N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide?
The InChIKey is DZECYUZDXPNDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-3-10-21-19(24)14-6-5-12-22(13-14)17-9-8-16(23(25)26)15-7-4-11-20-18(15)17/h4,7-9,11,14H,2-3,5-6,10,12-13H2,1H3,(H,21,24).
What are the key properties of N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide?
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide is sourced from PubChem (CID 49431600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).