N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide

C21H22N4OS — CID 49431387

IUPACN-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4OS/c26-21(22-16-7-8-16)14-4-3-10-25(12-14)20-17-5-1-2-6-18(17)23-19(24-20)15-9-11-27-13-15/h1-2,5-6,9,11,13-14,16H,3-4,7-8,10,12H2,(H,22,26)
InChIKeyFFOCUKPPJBUTTE-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.85
Rot. Bonds4

About N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide

N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide (PubChem CID 49431387) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
PubChem CID49431387
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1
InChIInChI=1S/C21H22N4OS/c26-21(22-16-7-8-16)14-4-3-10-25(12-14)20-17-5-1-2-6-18(17)23-19(24-20)15-9-11-27-13-15/h1-2,5-6,9,11,13-14,16H,3-4,7-8,10,12H2,(H,22,26)
InChIKeyFFOCUKPPJBUTTE-UHFFFAOYSA-N
XLogP3.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]urea
CID 60570235
azepan-1-yl-[1-(2-thiophen-3-ylquinazolin-4-yl)piperidin-4-yl]methanone
CID 24508180
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
(3R)-N-(4-hydroxycyclohexyl)-1-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 25365414
N-cycloheptyl-1-(3-oxo-4H-quinoxalin-2-yl)piperidine-3-carboxamide
CID 53070379
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-cyclooctyl-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 30454576
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-cyclopentyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522891
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071425
2-[1-(2-phenylquinazolin-4-yl)piperidin-3-yl]acetamide
CID 133355934
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide (CID 49431387) is N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(c2nc(-c3ccsc3)nc3ccccc23)C1.
What is the InChIKey of N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide?
The InChIKey is FFOCUKPPJBUTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(22-16-7-8-16)14-4-3-10-25(12-14)20-17-5-1-2-6-18(17)23-19(24-20)15-9-11-27-13-15/h1-2,5-6,9,11,13-14,16H,3-4,7-8,10,12H2,(H,22,26).
What are the key properties of N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide?
N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-thiophen-3-ylquinazolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 49431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).