N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

C14H23N3O2 — CID 39718821

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCn2cccc2[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-11(10-19-3)15-14(18)9-17-8-7-16-6-4-5-13(16)12(17)2/h4-6,11-12H,7-10H2,1-3H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyJOEOIVFDROZGDQ-RYUDHWBXSA-N
MW265.36 g/mol
LogP1.02
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (PubChem CID 39718821) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
PubChem CID39718821
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCn2cccc2[C@@H]1C
InChIInChI=1S/C14H23N3O2/c1-11(10-19-3)15-14(18)9-17-8-7-16-6-4-5-13(16)12(17)2/h4-6,11-12H,7-10H2,1-3H3,(H,15,18)/t11-,12-/m0/s1
InChIKeyJOEOIVFDROZGDQ-RYUDHWBXSA-N
XLogP1.02
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-pentan-3-ylacetamide
CID 18087503
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567992
methyl 4-[[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]benzoate
CID 43013020
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18087478
2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 18087559
N-(5-chloro-2,4-dimethoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 24567988
N-(5-acetamido-2-methoxyphenyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 17445310
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
N-(1-cyanocyclopentyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 47010847
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 43013017
2-(4-benzoylpiperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 134049466

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide (CID 39718821) is N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is COC[C@H](C)NC(=O)CN1CCn2cccc2[C@@H]1C.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
The InChIKey is JOEOIVFDROZGDQ-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(10-19-3)15-14(18)9-17-8-7-16-6-4-5-13(16)12(17)2/h4-6,11-12H,7-10H2,1-3H3,(H,15,18)/t11-,12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide is sourced from PubChem (CID 39718821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).