1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one

C16H29N3O — CID 79938269

IUPAC1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1CN2CCCC2CN1C(=O)CCC1CCNCC1
InChIInChI=1S/C16H29N3O/c1-13-11-18-10-2-3-15(18)12-19(13)16(20)5-4-14-6-8-17-9-7-14/h13-15,17H,2-12H2,1H3
InChIKeyZGFOSIYJGLWNPV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds3

About 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 79938269) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID79938269
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one
SMILESCC1CN2CCCC2CN1C(=O)CCC1CCNCC1
InChIInChI=1S/C16H29N3O/c1-13-11-18-10-2-3-15(18)12-19(13)16(20)5-4-14-6-8-17-9-7-14/h13-15,17H,2-12H2,1H3
InChIKeyZGFOSIYJGLWNPV-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one with MolForge

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Related Compounds

1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 78959510
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pentane-1,4-dione
CID 79931310
2-(cyclopropylmethylamino)-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 119888274
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropanenitrile
CID 79937725
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
2-(cyclopropylmethoxy)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone
CID 75421366
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124696237
6-amino-4-ethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)hexan-1-one
CID 79938507
5-amino-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)hexan-1-one
CID 82851880
2,2,2-trifluoro-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 78960092

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one (CID 79938269) is 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one is CC1CN2CCCC2CN1C(=O)CCC1CCNCC1.
What is the InChIKey of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is ZGFOSIYJGLWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-11-18-10-2-3-15(18)12-19(13)16(20)5-4-14-6-8-17-9-7-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one?
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 279.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one is sourced from PubChem (CID 79938269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).