(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone

C15H27N3O — CID 79935190

IUPAC(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
SMILESCC1CN2CCCCC2CN1C(=O)C1CCCNC1
InChIInChI=1S/C15H27N3O/c1-12-10-17-8-3-2-6-14(17)11-18(12)15(19)13-5-4-7-16-9-13/h12-14,16H,2-11H2,1H3
InChIKeyDBSOYUILSIBZDY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds1

About (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone

(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone (PubChem CID 79935190) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
PubChem CID79935190
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
SMILESCC1CN2CCCCC2CN1C(=O)C1CCCNC1
InChIInChI=1S/C15H27N3O/c1-12-10-17-8-3-2-6-14(17)11-18(12)15(19)13-5-4-7-16-9-13/h12-14,16H,2-11H2,1H3
InChIKeyDBSOYUILSIBZDY-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 78992310
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(3R)-piperidin-3-yl]methanone
CID 81141639
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
2,2-dimethyl-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-1-one
CID 78992341
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
CID 79938706
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone?
The IUPAC name of (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone (CID 79935190) is (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone is CC1CN2CCCCC2CN1C(=O)C1CCCNC1.
What is the InChIKey of (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone?
The InChIKey is DBSOYUILSIBZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-10-17-8-3-2-6-14(17)11-18(12)15(19)13-5-4-7-16-9-13/h12-14,16H,2-11H2,1H3.
What are the key properties of (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone?
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone has a molecular weight of 265.40 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 79935190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).