3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide

C23H27N5O2 — CID 4297016

IUPAC3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1
InChIInChI=1S/C23H27N5O2/c1-3-27(4-2)22(29)17-7-6-12-28(15-17)23(30)26-20-13-16-9-11-24-14-19(16)21-18(20)8-5-10-25-21/h5,8-11,13-14,17H,3-4,6-7,12,15H2,1-2H3,(H,26,30)
InChIKeyADCGBFOEFASIJK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.90
Rot. Bonds4

About 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide (PubChem CID 4297016) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide
PubChem CID4297016
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1
InChIInChI=1S/C23H27N5O2/c1-3-27(4-2)22(29)17-7-6-12-28(15-17)23(30)26-20-13-16-9-11-24-14-19(16)21-18(20)8-5-10-25-21/h5,8-11,13-14,17H,3-4,6-7,12,15H2,1-2H3,(H,26,30)
InChIKeyADCGBFOEFASIJK-UHFFFAOYSA-N
XLogP3.90
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
CID 23994751
1-N-(2,1,3-benzothiadiazol-5-yl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 2925009
(3S)-N,N-diethyl-1-[2-(5-oxo-1,6-naphthyridin-6-yl)acetyl]piperidine-3-carboxamide
CID 97285326
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
methyl 4-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330
1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785277
(3S)-3-N,3-N-diethyl-1-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 126433090

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide (CID 4297016) is 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2cc3ccncc3c3ncccc23)C1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide?
The InChIKey is ADCGBFOEFASIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-3-27(4-2)22(29)17-7-6-12-28(15-17)23(30)26-20-13-16-9-11-24-14-19(16)21-18(20)8-5-10-25-21/h5,8-11,13-14,17H,3-4,6-7,12,15H2,1-2H3,(H,26,30).
What are the key properties of 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(1,9-phenanthrolin-5-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 4297016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).