4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

C18H21FN4OS — CID 71657337

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C18H21FN4OS/c1-12-11-20-17(25-12)21-18(24)22-7-5-15(6-8-22)23-9-4-13-2-3-14(19)10-16(13)23/h2-3,10-11,15H,4-9H2,1H3,(H,20,21,24)
InChIKeyKPFLZHSPDZBLQZ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.65
Rot. Bonds2

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 71657337) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID71657337
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1
InChIInChI=1S/C18H21FN4OS/c1-12-11-20-17(25-12)21-18(24)22-7-5-15(6-8-22)23-9-4-13-2-3-14(19)10-16(13)23/h2-3,10-11,15H,4-9H2,1H3,(H,20,21,24)
InChIKeyKPFLZHSPDZBLQZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 71657337) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)s1.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is KPFLZHSPDZBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-12-11-20-17(25-12)21-18(24)22-7-5-15(6-8-22)23-9-4-13-2-3-14(19)10-16(13)23/h2-3,10-11,15H,4-9H2,1H3,(H,20,21,24).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71657337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).