5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one

C23H33FN2O — CID 24776396

IUPAC5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1
InChIInChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3
InChIKeyLPEZGDFBIWWFNL-UHFFFAOYSA-N
MW372.53 g/mol
LogP4.35
Rot. Bonds2

About 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one

5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one (PubChem CID 24776396) has the molecular formula C23H33FN2O and a molecular weight of 372.53 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one
PubChem CID24776396
Molecular FormulaC23H33FN2O
Molecular Weight372.53 g/mol
Exact Mass372.26
IUPAC Name5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one
SMILESCC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1
InChIInChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3
InChIKeyLPEZGDFBIWWFNL-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one with MolForge

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Related Compounds

Praziquantel
CID 4891
Arpraziquantel
CID 445900
1'-(cis-4-Isopropylcyclohexyl)-1,2-dihydro-3H-spiro[isoquinoline-4,4'-piperidin]-3-one
CID 24776407
10-Methyl-1,4-dihydro-1,4-(epiminomethano)naphthalen-9-one
CID 429398
Praziquantel, (S)-
CID 1917817
Piperidine Derivative, 5j
CID 24776395
Piperidine Derivative, 5l
CID 24776397
Piperidine Derivative, 5m
CID 24776398
Piperidine Derivative, 5n
CID 24776399
Piperidine Derivative, 5o
CID 24776400
Piperidine Derivative, 5p
CID 24776401
Piperidine Derivative, 5q
CID 24776402

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one?
The IUPAC name of 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one (CID 24776396) is 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one.
What is the SMILES notation for 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one?
The canonical SMILES for 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one is CC(C)C1CCC(N2CCC3(CC2)C(=O)N(C)Cc2cccc(F)c23)CC1.
What is the InChIKey of 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one?
The InChIKey is LPEZGDFBIWWFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2O/c1-16(2)17-7-9-19(10-8-17)26-13-11-23(12-14-26)21-18(5-4-6-20(21)24)15-25(3)22(23)27/h4-6,16-17,19H,7-15H2,1-3H3.
What are the key properties of 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one?
5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one has a molecular weight of 372.53 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-1'-(4-propan-2-ylcyclohexyl)spiro[1H-isoquinoline-4,4'-piperidine]-3-one is sourced from PubChem (CID 24776396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).