(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H18ClN3O2S — CID 25337021

IUPAC(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c2ncccc12)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C20H18ClN3O2S/c21-15-7-8-16(14-5-1-9-22-18(14)15)23-19(25)13-4-2-10-24(12-13)20(26)17-6-3-11-27-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,23,25)/t13-/m1/s1
InChIKeyJCJKKKFHPCHECP-CYBMUJFWSA-N
MW399.90 g/mol
LogP4.44
Rot. Bonds3

About (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 25337021) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID25337021
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC Name(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c2ncccc12)[C@@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C20H18ClN3O2S/c21-15-7-8-16(14-5-1-9-22-18(14)15)23-19(25)13-4-2-10-24(12-13)20(26)17-6-3-11-27-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,23,25)/t13-/m1/s1
InChIKeyJCJKKKFHPCHECP-CYBMUJFWSA-N
XLogP4.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3R)-1-(thiophene-2-carbonyl)-N-(1H-1,2,4-triazol-5-yl)piperidine-3-carboxamide
CID 30864097
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 25337021) is (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)c2ncccc12)[C@@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is JCJKKKFHPCHECP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c21-15-7-8-16(14-5-1-9-22-18(14)15)23-19(25)13-4-2-10-24(12-13)20(26)17-6-3-11-27-17/h1,3,5-9,11,13H,2,4,10,12H2,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(8-chloroquinolin-5-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 25337021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).