N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide

About N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide

N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 172536577) has the molecular formula C43H52FN3O4Si and a molecular weight of 721.99 g/mol. Its IUPAC name is N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name	N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID	172536577
Molecular Formula	C43H52FN3O4Si
Molecular Weight	721.99 g/mol
Exact Mass	721.37
IUPAC Name	N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILES	CC1(N2CCC(c3cc4cc(NC(=O)C5CC56CCOCC6)ncc4cc3F)CC2)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChI	InChI=1S/C43H52FN3O4Si/c1-41(2,3)52(33-11-7-5-8-12-33,34-13-9-6-10-14-34)51-38-28-50-29-42(38,4)47-19-15-30(16-20-47)35-23-31-25-39(45-27-32(31)24-37(35)44)46-40(48)36-26-43(36)17-21-49-22-18-43/h5-14,23-25,27,30,36,38H,15-22,26,28-29H2,1-4H3,(H,45,46,48)
InChIKey	GTEMHWLGBDRPRC-UHFFFAOYSA-N
XLogP	7.04
TPSA	72.92 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	52
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	721.99
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 172536577) is N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide is CC1(N2CCC(c3cc4cc(NC(=O)C5CC56CCOCC6)ncc4cc3F)CC2)COCC1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?

The InChIKey is GTEMHWLGBDRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52FN3O4Si/c1-41(2,3)52(33-11-7-5-8-12-33,34-13-9-6-10-14-34)51-38-28-50-29-42(38,4)47-19-15-30(16-20-47)35-23-31-25-39(45-27-32(31)24-37(35)44)46-40(48)36-26-43(36)17-21-49-22-18-43/h5-14,23-25,27,30,36,38H,15-22,26,28-29H2,1-4H3,(H,45,46,48).

What are the key properties of N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?

N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 721.99 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[4-[tert-butyl(diphenyl)silyl]oxy-3-methyloxolan-3-yl]piperidin-4-yl]-7-fluoroisoquinolin-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 172536577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).