propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate

C26H38N4O4 — CID 10766754

IUPACpropyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate
SMILESCCCOC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C26H38N4O4/c1-2-19-34-26(33)21-9-3-4-10-22(21)28-17-15-27(16-18-28)12-7-8-13-29-20-24(31)30-14-6-5-11-23(30)25(29)32/h3-4,9-10,23H,2,5-8,11-20H2,1H3
InChIKeyINSRCPBAHAPKAR-UHFFFAOYSA-N
MW470.61 g/mol
LogP2.38
Rot. Bonds9

About propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate

propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate (PubChem CID 10766754) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate.

Molecular Properties

Compound Namepropyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate
PubChem CID10766754
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Namepropyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate
SMILESCCCOC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1
InChIInChI=1S/C26H38N4O4/c1-2-19-34-26(33)21-9-3-4-10-22(21)28-17-15-27(16-18-28)12-7-8-13-29-20-24(31)30-14-6-5-11-23(30)25(29)32/h3-4,9-10,23H,2,5-8,11-20H2,1H3
InChIKeyINSRCPBAHAPKAR-UHFFFAOYSA-N
XLogP2.38
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate with MolForge

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Related Compounds

N-ethylisatoic anhydride
CID 3249856
propyl 2-[4-[3-(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-2-yl)propyl]piperazin-1-yl]benzoate
CID 10503361
Propyl 2-[4-[4-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]benzoate
CID 10527186
2-{4-[3-(1,4-Dioxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-propyl]-piperazin-1-yl}-benzoic acid propyl ester
CID 10670866
N-(4-acetylphenyl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride
CID 10094962
Anthranilic acid, N-(dimethylcarbamoylmethyl)-, ethyl ester
CID 583524
2-{2-[4-(2-Methyl-benzoylamino)-piperidin-1-yl]-acetylamino}-benzoic acid methyl ester
CID 651058
Methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
CID 651323
Methyl 2-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 892472
Methyl 2-{2-[4-benzylpiperazinyl]acetylamino}benzoate
CID 2146180
2-{4-[2-(7,9-Dioxo-8-aza-spiro[4.5]dec-8-yl)-ethyl]-piperazin-1-yl}-benzoic acid ethyl ester
CID 11339351
Methyl 2-[(4-{4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-YL}piperidine-1-carbonyl)amino]benzoate
CID 16027906

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate?
The IUPAC name of propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate (CID 10766754) is propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate.
What is the SMILES notation for propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate?
The canonical SMILES for propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate is CCCOC(=O)c1ccccc1N1CCN(CCCCN2CC(=O)N3CCCCC3C2=O)CC1.
What is the InChIKey of propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate?
The InChIKey is INSRCPBAHAPKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-2-19-34-26(33)21-9-3-4-10-22(21)28-17-15-27(16-18-28)12-7-8-13-29-20-24(31)30-14-6-5-11-23(30)25(29)32/h3-4,9-10,23H,2,5-8,11-20H2,1H3.
What are the key properties of propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate?
propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate has a molecular weight of 470.61 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[4-(1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-2-yl)butyl]piperazin-1-yl]benzoate is sourced from PubChem (CID 10766754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).