1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

C22H29N3O — CID 112820085

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCn3cccc3C2c2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-17-13-18(2)15-25(14-17)21(26)16-24-12-11-23-10-6-9-20(23)22(24)19-7-4-3-5-8-19/h3-10,17-18,22H,11-16H2,1-2H3
InChIKeyQOMGUUXAIHQACE-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.40
Rot. Bonds3

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 112820085) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
PubChem CID112820085
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCn3cccc3C2c2ccccc2)C1
InChIInChI=1S/C22H29N3O/c1-17-13-18(2)15-25(14-17)21(26)16-24-12-11-23-10-6-9-20(23)22(24)19-7-4-3-5-8-19/h3-10,17-18,22H,11-16H2,1-2H3
InChIKeyQOMGUUXAIHQACE-UHFFFAOYSA-N
XLogP3.40
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidine-4-carboxamide
CID 78860854
N-(4-methylphenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55601063
3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
N-carbamoyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 46405527
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
1-(4-benzylpiperidin-1-yl)-2-[1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 42798089
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 46405546
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120760030
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-phenylmethoxyethanone
CID 134054456
N-benzyl-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30636513

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone (CID 112820085) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is CC1CC(C)CN(C(=O)CN2CCn3cccc3C2c2ccccc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is QOMGUUXAIHQACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-13-18(2)15-25(14-17)21(26)16-24-12-11-23-10-6-9-20(23)22(24)19-7-4-3-5-8-19/h3-10,17-18,22H,11-16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 351.49 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 112820085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).