N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide

C14H26N4O2 — CID 82855691

IUPACN-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESCN(CCCN)C(=O)CCN1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H26N4O2/c1-16(7-2-6-15)13(19)5-8-17-9-10-18-12(11-17)3-4-14(18)20/h12H,2-11,15H2,1H3
InChIKeyGLKPBQJVTZGHLG-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.51
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide

N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide (PubChem CID 82855691) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
PubChem CID82855691
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESCN(CCCN)C(=O)CCN1CCN2C(=O)CCC2C1
InChIInChI=1S/C14H26N4O2/c1-16(7-2-6-15)13(19)5-8-17-9-10-18-12(11-17)3-4-14(18)20/h12H,2-11,15H2,1H3
InChIKeyGLKPBQJVTZGHLG-UHFFFAOYSA-N
XLogP-0.51
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-[3-(diethylamino)pyrrolidin-1-yl]-N-methylpropanamide
CID 63172162
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
1-[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-N-methylpiperidine-3-carboxamide
CID 103194926
2-(4-aminobutanoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863221
3-[methyl-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)amino]propanoic acid
CID 82863887
2-[3-(4-fluorophenyl)-3-oxopropyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855659
2-[2-(tert-butylamino)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863901
N-(3-aminopropyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropanamide
CID 43581216
2-[3-(propan-2-ylamino)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862741
N-(3-aminopropyl)-N-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanamide
CID 65361622
ethyl 2-[(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]prop-2-enoate
CID 82863870
2-(2-cyclopropyl-2-oxoethyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82864086

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide (CID 82855691) is N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide is CN(CCCN)C(=O)CCN1CCN2C(=O)CCC2C1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The InChIKey is GLKPBQJVTZGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-16(7-2-6-15)13(19)5-8-17-9-10-18-12(11-17)3-4-14(18)20/h12H,2-11,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide?
N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide has a molecular weight of 282.39 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 82855691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).