(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

C16H22ClN3O2 — CID 50955951

IUPAC(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCN3CCN(C)CC3C2)c1
InChIInChI=1S/C16H22ClN3O2/c1-18-3-4-19-5-6-20(11-14(19)10-18)16(21)12-7-13(17)9-15(8-12)22-2/h7-9,14H,3-6,10-11H2,1-2H3
InChIKeyFEFDVIQVJOPGDJ-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.42
Rot. Bonds2

About (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (PubChem CID 50955951) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
PubChem CID50955951
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCOc1cc(Cl)cc(C(=O)N2CCN3CCN(C)CC3C2)c1
InChIInChI=1S/C16H22ClN3O2/c1-18-3-4-19-5-6-20(11-14(19)10-18)16(21)12-7-13(17)9-15(8-12)22-2/h7-9,14H,3-6,10-11H2,1-2H3
InChIKeyFEFDVIQVJOPGDJ-UHFFFAOYSA-N
XLogP1.42
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
3-[(9aS)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonyl]-5-chloro-1H-pyridin-2-one
CID 95127554
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341
(3-amino-4-cyclopropylpyrrolidin-1-yl)-(3-chloro-5-methoxyphenyl)methanone
CID 156604167
(3-chloro-5-methoxyphenyl)-[4-(1H-pyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134708918
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
3-[(3R)-1-(3-chloro-5-methoxybenzoyl)piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210454
1-[4-[1-(3-chlorobenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579152
(3-chloro-5-methoxyphenyl)-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 135120395
(9aR)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 98742869
(9aS)-N-[2-(4-methoxyphenyl)ethyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 95127897
[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 66201748

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (CID 50955951) is (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is COc1cc(Cl)cc(C(=O)N2CCN3CCN(C)CC3C2)c1.
What is the InChIKey of (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is FEFDVIQVJOPGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-18-3-4-19-5-6-20(11-14(19)10-18)16(21)12-7-13(17)9-15(8-12)22-2/h7-9,14H,3-6,10-11H2,1-2H3.
What are the key properties of (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
(3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 323.82 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxyphenyl)-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50955951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).