4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide

C19H27N3O3 — CID 109046369

IUPAC4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-9-21(10-4-2)18(24)16-5-7-17(8-6-16)19(25)22-13-11-20(15-23)12-14-22/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyPSDGOFKCFRDCFM-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.86
Rot. Bonds7

About 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide

4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide (PubChem CID 109046369) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
PubChem CID109046369
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-9-21(10-4-2)18(24)16-5-7-17(8-6-16)19(25)22-13-11-20(15-23)12-14-22/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyPSDGOFKCFRDCFM-UHFFFAOYSA-N
XLogP1.86
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.86
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

N-[4-(4-formylpiperazine-1-carbonyl)phenyl]-N-methylethanesulfonamide
CID 21367512
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
4-[6-(dipropylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116981
6-(4-formylpiperazin-1-yl)-N,N-dipropylpyridazine-3-carboxamide
CID 109116830
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354
2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109084325

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide (CID 109046369) is 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(C(=O)N2CCN(C=O)CC2)cc1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
The InChIKey is PSDGOFKCFRDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-9-21(10-4-2)18(24)16-5-7-17(8-6-16)19(25)22-13-11-20(15-23)12-14-22/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide?
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide is sourced from PubChem (CID 109046369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).