1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

C21H22ClN5O2 — CID 86882198

IUPAC1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cn1
InChIInChI=1S/C21H22ClN5O2/c1-2-27-13-15(12-24-27)25-20(28)14-7-10-26(11-8-14)21(29)17-5-6-18(22)16-4-3-9-23-19(16)17/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,25,28)
InChIKeyUQQLOHRCVHIVOR-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.60
Rot. Bonds4

About 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (PubChem CID 86882198) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
PubChem CID86882198
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cn1
InChIInChI=1S/C21H22ClN5O2/c1-2-27-13-15(12-24-27)25-20(28)14-7-10-26(11-8-14)21(29)17-5-6-18(22)16-4-3-9-23-19(16)17/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,25,28)
InChIKeyUQQLOHRCVHIVOR-UHFFFAOYSA-N
XLogP3.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-4-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 133269972
1-[5-bromo-2-(dimethylamino)pyridine-3-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947533
1-(5-chloropyrimidin-2-yl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 71980297
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
1-(6-chloro-2H-chromene-3-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86973530
1-[2-chloro-6-(dimethylamino)pyridine-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86947532
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882172
N-(1-ethylpyrazol-4-yl)-1-[2-oxo-2-(2-quinolin-8-ylethylamino)ethyl]piperidine-4-carboxamide
CID 86881963
N-(1-ethylpyrazol-4-yl)-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009386
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
(5-chloroquinolin-8-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491888
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide (CID 86882198) is 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)c4cccnc34)CC2)cn1.
What is the InChIKey of 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
The InChIKey is UQQLOHRCVHIVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-2-27-13-15(12-24-27)25-20(28)14-7-10-26(11-8-14)21(29)17-5-6-18(22)16-4-3-9-23-19(16)17/h3-6,9,12-14H,2,7-8,10-11H2,1H3,(H,25,28).
What are the key properties of 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide?
1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinoline-8-carbonyl)-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 86882198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).