N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide

C24H30N6O2 — CID 86881963

IUPACN-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)cn1
InChIInChI=1S/C24H30N6O2/c1-2-30-16-21(15-27-30)28-24(32)20-9-13-29(14-10-20)17-22(31)25-12-8-19-6-3-5-18-7-4-11-26-23(18)19/h3-7,11,15-16,20H,2,8-10,12-14,17H2,1H3,(H,25,31)(H,28,32)
InChIKeyGWYLGTOJLGOWAR-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.46
Rot. Bonds8

About N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide (PubChem CID 86881963) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
PubChem CID86881963
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)cn1
InChIInChI=1S/C24H30N6O2/c1-2-30-16-21(15-27-30)28-24(32)20-9-13-29(14-10-20)17-22(31)25-12-8-19-6-3-5-18-7-4-11-26-23(18)19/h3-7,11,15-16,20H,2,8-10,12-14,17H2,1H3,(H,25,31)(H,28,32)
InChIKeyGWYLGTOJLGOWAR-UHFFFAOYSA-N
XLogP2.46
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[ethylsulfonyl(methyl)amino]piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86903057
N-(1-ethylpyrazol-4-yl)-1-[2-(3-methoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 86865510
N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86865505
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882198
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 86894891
N-(2-quinolin-8-ylethyl)-2-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 86895240

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide (CID 86881963) is N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide?
The InChIKey is GWYLGTOJLGOWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-30-16-21(15-27-30)28-24(32)20-9-13-29(14-10-20)17-22(31)25-12-8-19-6-3-5-18-7-4-11-26-23(18)19/h3-7,11,15-16,20H,2,8-10,12-14,17H2,1H3,(H,25,31)(H,28,32).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 86881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).