2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione

C26H21NO3 — CID 633858

IUPAC2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H21NO3/c28-24-20-8-4-5-9-21(20)25(29)23-16-19(10-11-22(23)24)26(30)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2
InChIKeyNSHYLQCKBJJESY-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.48
Rot. Bonds2

About 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione

2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione (PubChem CID 633858) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione.

Molecular Properties

Compound Name2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
PubChem CID633858
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc21
InChIInChI=1S/C26H21NO3/c28-24-20-8-4-5-9-21(20)25(29)23-16-19(10-11-22(23)24)26(30)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2
InChIKeyNSHYLQCKBJJESY-UHFFFAOYSA-N
XLogP4.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
CID 175949360
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
CID 16764901
9H-fluoren-2-yl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78868858
2-[4-(furan-3-carbonyl)piperazine-1-carbonyl]fluoren-9-one
CID 32534624
2-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidine-1-carbonyl]anthracene-9,10-dione
CID 139906530
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione?
The IUPAC name of 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione (CID 633858) is 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione.
What is the SMILES notation for 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione?
The canonical SMILES for 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(C(=O)N3CCC(c4ccccc4)CC3)ccc21.
What is the InChIKey of 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione?
The InChIKey is NSHYLQCKBJJESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO3/c28-24-20-8-4-5-9-21(20)25(29)23-16-19(10-11-22(23)24)26(30)27-14-12-18(13-15-27)17-6-2-1-3-7-17/h1-11,16,18H,12-15H2.
What are the key properties of 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione?
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione has a molecular weight of 395.46 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione is sourced from PubChem (CID 633858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).