8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one

C31H37N3O2 — CID 57400701

IUPAC8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCN1CCCC2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O
InChIInChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3
InChIKeySUJPLSLDZHKORQ-UHFFFAOYSA-N
MW483.66 g/mol
LogP5.32
Rot. Bonds3

About 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one

8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 57400701) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID57400701
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC Name8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
SMILESCCN1CCCC2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O
InChIInChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3
InChIKeySUJPLSLDZHKORQ-UHFFFAOYSA-N
XLogP5.32
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one (CID 57400701) is 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one is CCN1CCCC2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C1=O.
What is the InChIKey of 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is SUJPLSLDZHKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-2-32-17-7-15-31(30(32)36)16-8-18-34(22-31)25-13-19-33(20-14-25)29(35)28-26-11-5-3-9-23(26)21-24-10-4-6-12-27(24)28/h3-6,9-12,21,25H,2,7-8,13-20,22H2,1H3.
What are the key properties of 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one?
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 483.66 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 57400701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).