N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide

C17H23N3O3 — CID 109053776

IUPACN,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-3-19(4-2)16(22)14-6-5-7-15(12-14)17(23)20-10-8-18(13-21)9-11-20/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyBFRFGIZROAQLGG-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.08
Rot. Bonds5

About N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide

N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide (PubChem CID 109053776) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
PubChem CID109053776
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-3-19(4-2)16(22)14-6-5-7-15(12-14)17(23)20-10-8-18(13-21)9-11-20/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyBFRFGIZROAQLGG-UHFFFAOYSA-N
XLogP1.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-methylpiperazine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109053495
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
N-butyl-3-(4-formylpiperazine-1-carbonyl)-N-methylbenzenesulfonamide
CID 109064399
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-(3-nitrobenzoyl)piperazine-1-carbaldehyde
CID 774429
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
4-[3-(4-ethylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109064308
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide (CID 109053776) is N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide is CCN(CC)C(=O)c1cccc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide?
The InChIKey is BFRFGIZROAQLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-19(4-2)16(22)14-6-5-7-15(12-14)17(23)20-10-8-18(13-21)9-11-20/h5-7,12-13H,3-4,8-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide?
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).