1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone

C24H36N2O — CID 58089803

IUPAC1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
SMILESCCCC1CCC(N2CCC3(CC2)CN(C(C)=O)Cc2ccccc23)CC1
InChIInChI=1S/C24H36N2O/c1-3-6-20-9-11-22(12-10-20)25-15-13-24(14-16-25)18-26(19(2)27)17-21-7-4-5-8-23(21)24/h4-5,7-8,20,22H,3,6,9-18H2,1-2H3
InChIKeyVDMVTCRUWMPZPO-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.74
Rot. Bonds3

About 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone

1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone (PubChem CID 58089803) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
PubChem CID58089803
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
SMILESCCCC1CCC(N2CCC3(CC2)CN(C(C)=O)Cc2ccccc23)CC1
InChIInChI=1S/C24H36N2O/c1-3-6-20-9-11-22(12-10-20)25-15-13-24(14-16-25)18-26(19(2)27)17-21-7-4-5-8-23(21)24/h4-5,7-8,20,22H,3,6,9-18H2,1-2H3
InChIKeyVDMVTCRUWMPZPO-UHFFFAOYSA-N
XLogP4.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The IUPAC name of 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone (CID 58089803) is 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The canonical SMILES for 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone is CCCC1CCC(N2CCC3(CC2)CN(C(C)=O)Cc2ccccc23)CC1.
What is the InChIKey of 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
The InChIKey is VDMVTCRUWMPZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-6-20-9-11-22(12-10-20)25-15-13-24(14-16-25)18-26(19(2)27)17-21-7-4-5-8-23(21)24/h4-5,7-8,20,22H,3,6,9-18H2,1-2H3.
What are the key properties of 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone?
1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone has a molecular weight of 368.57 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(4-propylcyclohexyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 58089803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).