N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide

C25H28N4O2S — CID 71841676

IUPACN-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(C2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1)C1CCC1
InChIInChI=1S/C25H28N4O2S/c30-23(18-6-3-7-18)26-13-12-20-16-32-24(27-20)19-8-4-14-29(15-19)25(31)22-11-10-17-5-1-2-9-21(17)28-22/h1-2,5,9-11,16,18-19H,3-4,6-8,12-15H2,(H,26,30)
InChIKeyGHBPDGJUSBVWDY-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.17
Rot. Bonds6

About N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide

N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71841676) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
PubChem CID71841676
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC NameN-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(C2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1)C1CCC1
InChIInChI=1S/C25H28N4O2S/c30-23(18-6-3-7-18)26-13-12-20-16-32-24(27-20)19-8-4-14-29(15-19)25(31)22-11-10-17-5-1-2-9-21(17)28-22/h1-2,5,9-11,16,18-19H,3-4,6-8,12-15H2,(H,26,30)
InChIKeyGHBPDGJUSBVWDY-UHFFFAOYSA-N
XLogP4.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841693
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
CID 71841940
N-[2-[2-(1-benzoylpiperidin-4-yl)-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 53149524
N-[2-[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841884
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841888
N-[2-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841887
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
N-[2-[2-[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 95097266
N-[2-[2-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71841889
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
N-[2-[2-[1-(2-fluorobenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]cyclopropanecarboxamide
CID 71841902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide (CID 71841676) is N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is O=C(NCCc1csc(C2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1)C1CCC1.
What is the InChIKey of N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is GHBPDGJUSBVWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c30-23(18-6-3-7-18)26-13-12-20-16-32-24(27-20)19-8-4-14-29(15-19)25(31)22-11-10-17-5-1-2-9-21(17)28-22/h1-2,5,9-11,16,18-19H,3-4,6-8,12-15H2,(H,26,30).
What are the key properties of N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide?
N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(quinoline-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71841676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).