9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one

C28H32N4O2 — CID 59373281

IUPAC9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one
SMILESCC1NC(=O)C2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)N1
InChIInChI=1S/C28H32N4O2/c1-19-29-27(34)28(30-19)13-6-14-32(18-28)22-11-15-31(16-12-22)26(33)25-23-9-4-2-7-20(23)17-21-8-3-5-10-24(21)25/h2-5,7-10,17,19,22,30H,6,11-16,18H2,1H3,(H,29,34)
InChIKeyGEDNXNGLZBQLDK-UHFFFAOYSA-N
MW456.59 g/mol
LogP3.50
Rot. Bonds2

About 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one

9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one (PubChem CID 59373281) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one
PubChem CID59373281
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one
SMILESCC1NC(=O)C2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)N1
InChIInChI=1S/C28H32N4O2/c1-19-29-27(34)28(30-19)13-6-14-32(18-28)22-11-15-31(16-12-22)26(33)25-23-9-4-2-7-20(23)17-21-8-3-5-10-24(21)25/h2-5,7-10,17,19,22,30H,6,11-16,18H2,1H3,(H,29,34)
InChIKeyGEDNXNGLZBQLDK-UHFFFAOYSA-N
XLogP3.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59373502
8-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-2,8-diazaspiro[5.5]undecan-1-one
CID 57400701
7-[1-(anthracene-9-carbonyl)piperidin-4-yl]-4-oxo-7-azaspiro[4.5]decane-3-carbonitrile
CID 59373621
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-3-(cyclobutylmethyl)-2-methyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59373277
[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 22263076
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
anthracen-9-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone;N,N-diethylformamide
CID 143762942
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
9-[1-(2-hydroxynaphthalene-1-carbonyl)piperidin-4-yl]-3,3-dimethyl-2-oxa-9-azaspiro[4.5]decan-1-one
CID 59373617
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-ethyl-3-methyl-6-(2,2,2-trifluoroacetyl)-2,6,9-triazaspiro[4.5]decan-1-one
CID 59373619
(3R)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 10174028

Frequently Asked Questions

What is the IUPAC name of 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one?
The IUPAC name of 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one (CID 59373281) is 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one is CC1NC(=O)C2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)N1.
What is the InChIKey of 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one?
The InChIKey is GEDNXNGLZBQLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-19-29-27(34)28(30-19)13-6-14-32(18-28)22-11-15-31(16-12-22)26(33)25-23-9-4-2-7-20(23)17-21-8-3-5-10-24(21)25/h2-5,7-10,17,19,22,30H,6,11-16,18H2,1H3,(H,29,34).
What are the key properties of 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one?
9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one has a molecular weight of 456.59 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(anthracene-9-carbonyl)piperidin-4-yl]-2-methyl-1,3,9-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 59373281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).