N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

C18H24ClN3O3 — CID 56748113

IUPACN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCN1CCN2C[C@@H](NC(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]2C1
InChIInChI=1S/C18H24ClN3O3/c1-21-2-3-22-10-13(8-14(22)11-21)20-18(23)7-12-6-16-17(9-15(12)19)25-5-4-24-16/h6,9,13-14H,2-5,7-8,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyOVNBMYNQHYJRBW-KBPBESRZSA-N
MW365.86 g/mol
LogP1.16
Rot. Bonds3

About N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (PubChem CID 56748113) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.

Molecular Properties

Compound NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
PubChem CID56748113
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
SMILESCN1CCN2C[C@@H](NC(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]2C1
InChIInChI=1S/C18H24ClN3O3/c1-21-2-3-22-10-13(8-14(22)11-21)20-18(23)7-12-6-16-17(9-15(12)19)25-5-4-24-16/h6,9,13-14H,2-5,7-8,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1
InChIKeyOVNBMYNQHYJRBW-KBPBESRZSA-N
XLogP1.16
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide with MolForge

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Related Compounds

2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3S)-1-ethylpiperidin-3-yl]acetamide
CID 124753795
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 56758862
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 56749981
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 118773864
methyl 5-[[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]carbamoylamino]-2-chlorobenzoate
CID 72845264
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56740040
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-chloropyridine-4-carboxamide
CID 56750459
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-imidazol-1-ylacetamide
CID 56748119
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 135112641
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70784243
N-(1-cyclopropylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43051431
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 55406857

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The IUPAC name of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide (CID 56748113) is N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide.
What is the SMILES notation for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The canonical SMILES for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is CN1CCN2C[C@@H](NC(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@H]2C1.
What is the InChIKey of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
The InChIKey is OVNBMYNQHYJRBW-KBPBESRZSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-21-2-3-22-10-13(8-14(22)11-21)20-18(23)7-12-6-16-17(9-15(12)19)25-5-4-24-16/h6,9,13-14H,2-5,7-8,10-11H2,1H3,(H,20,23)/t13-,14-/m0/s1.
What are the key properties of N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide?
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide has a molecular weight of 365.86 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide is sourced from PubChem (CID 56748113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).