N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

C20H30N4O3 — CID 122175556

IUPACN-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESO=C(NC1CCCC1)C1c2cccn2CC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H30N4O3/c25-18-15-23-9-3-7-17(23)19(20(26)21-16-5-1-2-6-16)24(18)10-4-8-22-11-13-27-14-12-22/h3,7,9,16,19H,1-2,4-6,8,10-15H2,(H,21,26)
InChIKeyYNMZHTHITJOHJU-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.15
Rot. Bonds6

About N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide

N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (PubChem CID 122175556) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
PubChem CID122175556
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
SMILESO=C(NC1CCCC1)C1c2cccn2CC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H30N4O3/c25-18-15-23-9-3-7-17(23)19(20(26)21-16-5-1-2-6-16)24(18)10-4-8-22-11-13-27-14-12-22/h3,7,9,16,19H,1-2,4-6,8,10-15H2,(H,21,26)
InChIKeyYNMZHTHITJOHJU-UHFFFAOYSA-N
XLogP1.15
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(3-morpholin-4-ylpropyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671638
(2R)-N-cyclopentyl-2-methyl-1-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 92734259
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
(1R)-2-(2-ethylphenyl)-N-[(1S,2R)-2-methylcyclohexyl]-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 129419743
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(3-morpholin-4-ylpropyl)piperidin-4-yl]acetamide
CID 129490207
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
N-cyclohexyl-6-(2-morpholin-4-ylethylamino)pyridazine-3-carboxamide
CID 109112985
(1S,2S,5R,6R,7S)-2-N-cyclohexyl-6-N-(3,4-dichlorophenyl)-3-(3-morpholin-4-ylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
CID 98179970
2-(3-acetylphenyl)-N-(4-methylcyclohexyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 20861674
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
1-(3-morpholin-4-ylpropyl)-N-phenylpiperidine-3-carboxamide
CID 56798820

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide (CID 122175556) is N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is O=C(NC1CCCC1)C1c2cccn2CC(=O)N1CCCN1CCOCC1.
What is the InChIKey of N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
The InChIKey is YNMZHTHITJOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-18-15-23-9-3-7-17(23)19(20(26)21-16-5-1-2-6-16)24(18)10-4-8-22-11-13-27-14-12-22/h3,7,9,16,19H,1-2,4-6,8,10-15H2,(H,21,26).
What are the key properties of N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide?
N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-morpholin-4-ylpropyl)-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide is sourced from PubChem (CID 122175556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).