1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide

C25H26N2O4 — CID 16764901

IUPAC1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C25H26N2O4/c1-3-26(4-2)24(30)16-11-13-27(14-12-16)25(31)17-9-10-20-21(15-17)23(29)19-8-6-5-7-18(19)22(20)28/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyRWOWULKHYATJSN-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.18
Rot. Bonds4

About 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide

1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 16764901) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID16764901
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C25H26N2O4/c1-3-26(4-2)24(30)16-11-13-27(14-12-16)25(31)17-9-10-20-21(15-17)23(29)19-8-6-5-7-18(19)22(20)28/h5-10,15-16H,3-4,11-14H2,1-2H3
InChIKeyRWOWULKHYATJSN-UHFFFAOYSA-N
XLogP3.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxypiperidine-1-carbonyl)fluoren-9-one
CID 110883962
N-[2-(dimethylamino)ethyl]-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 86945861
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-dimethylpiperidine-4-sulfonamide
CID 175949360
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858
ethyl 4-(9-oxofluorene-2-carbonyl)piperazine-1-carboxylate
CID 17446072
N-(3-methoxypropyl)-1-(9-oxofluorene-2-carbonyl)piperidine-4-carboxamide
CID 55953433
2-(4-butylsulfanylpiperazine-1-carbonyl)anthracene-9,10-dione
CID 169240449
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
2-[4-[[4-(cyclohexylmethylamino)butylamino]methyl]piperidine-1-carbonyl]anthracene-9,10-dione
CID 139906530
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide (CID 16764901) is 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is RWOWULKHYATJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-26(4-2)24(30)16-11-13-27(14-12-16)25(31)17-9-10-20-21(15-17)23(29)19-8-6-5-7-18(19)22(20)28/h5-10,15-16H,3-4,11-14H2,1-2H3.
What are the key properties of 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide?
1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dioxoanthracene-2-carbonyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 16764901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).