1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one

C30H48N4O3 — CID 15982661

IUPAC1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC(O)CNCCN2CCOCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C30H48N4O3/c35-26(22-31-14-17-32-18-20-37-21-19-32)24-34-28-11-7-6-10-27(28)30(29(34)36)12-15-33(16-13-30)23-25-8-4-2-1-3-5-9-25/h6-7,10-11,25-26,31,35H,1-5,8-9,12-24H2
InChIKeyRNBJHJNXUGOLGB-UHFFFAOYSA-N
MW512.74 g/mol
LogP3.01
Rot. Bonds9

About 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one

1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one (PubChem CID 15982661) has the molecular formula C30H48N4O3 and a molecular weight of 512.74 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one
PubChem CID15982661
Molecular FormulaC30H48N4O3
Molecular Weight512.74 g/mol
Exact Mass512.37
IUPAC Name1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC(O)CNCCN2CCOCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C30H48N4O3/c35-26(22-31-14-17-32-18-20-37-21-19-32)24-34-28-11-7-6-10-27(28)30(29(34)36)12-15-33(16-13-30)23-25-8-4-2-1-3-5-9-25/h6-7,10-11,25-26,31,35H,1-5,8-9,12-24H2
InChIKeyRNBJHJNXUGOLGB-UHFFFAOYSA-N
XLogP3.01
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 11259697
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CID 15982791
CID 44404646
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CID 44404731
CID 44404731
CID 23648365
CID 23648365
CID 132121810
CID 132121810
CID 90328851
CID 90328851
CID 37002
CID 37002
CID 37649
CID 37649
CID 37698
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CID 39297
CID 39297

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one (CID 15982661) is 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one is O=C1N(CC(O)CNCCN2CCOCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RNBJHJNXUGOLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N4O3/c35-26(22-31-14-17-32-18-20-37-21-19-32)24-34-28-11-7-6-10-27(28)30(29(34)36)12-15-33(16-13-30)23-25-8-4-2-1-3-5-9-25/h6-7,10-11,25-26,31,35H,1-5,8-9,12-24H2.
What are the key properties of 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 512.74 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-[2-hydroxy-3-(2-morpholin-4-ylethylamino)propyl]spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15982661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).