1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione

C22H22N2O4 — CID 3740013

IUPAC1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2NCCO
InChIInChI=1S/C22H22N2O4/c25-13-10-23-19-17(22(28)24-11-4-1-5-12-24)9-8-16-18(19)21(27)15-7-3-2-6-14(15)20(16)26/h2-3,6-9,23,25H,1,4-5,10-13H2
InChIKeyUTVVIDAQHAPKOL-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.49
Rot. Bonds4

About 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione

1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione (PubChem CID 3740013) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione
PubChem CID3740013
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2NCCO
InChIInChI=1S/C22H22N2O4/c25-13-10-23-19-17(22(28)24-11-4-1-5-12-24)9-8-16-18(19)21(27)15-7-3-2-6-14(15)20(16)26/h2-3,6-9,23,25H,1,4-5,10-13H2
InChIKeyUTVVIDAQHAPKOL-UHFFFAOYSA-N
XLogP2.49
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

C.I. Disperse Blue 3
CID 17191
Ametantrone
CID 2134
1,4-Bis((2-hydroxyethyl)amino)anthraquinone
CID 20549
9,10-Anthracenedione, 1-((2-hydroxyethyl)amino)-
CID 20528
HC Blue No. 14
CID 384121
1,5-Bis(3-(diethylamino)propionamido)anthracene-9,10-dione
CID 10767451
3-(dimethylamino)-N-[4-[3-(dimethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 146549
9,10-Anthracenedione, 1,4-bis((3-(4-morpholinyl)propyl)amino)-
CID 386271
N,N'-(9,10-Dihydro-9,10-dioxo-1,4-anthracenediyl)bis-1-piperidinepropanamide
CID 188688
1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
CID 335352
1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 650462
2-(3,5-Dimethylpiperidin-1-yl)carbonyl-1-(2-hydroxyethylamino)anthracene-9,10-dione
CID 9550551

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione?
The IUPAC name of 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione (CID 3740013) is 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione.
What is the SMILES notation for 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione?
The canonical SMILES for 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1ccc(C(=O)N1CCCCC1)c2NCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione?
The InChIKey is UTVVIDAQHAPKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-13-10-23-19-17(22(28)24-11-4-1-5-12-24)9-8-16-18(19)21(27)15-7-3-2-6-14(15)20(16)26/h2-3,6-9,23,25H,1,4-5,10-13H2.
What are the key properties of 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione?
1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione has a molecular weight of 378.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-2-(piperidine-1-carbonyl)anthracene-9,10-dione is sourced from PubChem (CID 3740013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).