1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride

C13H25Cl2N3O — CID 119868355

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCN1)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O.2ClH/c17-13(12-5-3-6-14-12)16-9-8-15-7-2-1-4-11(15)10-16;;/h11-12,14H,1-10H2;2*1H
InChIKeyNBSOWSZGFWSSHX-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.28
Rot. Bonds1

About 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride (PubChem CID 119868355) has the molecular formula C13H25Cl2N3O and a molecular weight of 310.27 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
PubChem CID119868355
Molecular FormulaC13H25Cl2N3O
Molecular Weight310.27 g/mol
Exact Mass309.14
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCN1)N1CCN2CCCCC2C1
InChIInChI=1S/C13H23N3O.2ClH/c17-13(12-5-3-6-14-12)16-9-8-15-7-2-1-4-11(15)10-16;;/h11-12,14H,1-10H2;2*1H
InChIKeyNBSOWSZGFWSSHX-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 119868312
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(azepan-2-yl)methanone
CID 64563235
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[(2R)-piperidin-2-yl]methanone
CID 104913916
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[(3S)-piperidin-3-yl]methanone
CID 81129891
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-hydroxypyrrolidin-2-yl)methanone;dihydrochloride
CID 119881530
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride (CID 119868355) is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride is Cl.Cl.O=C(C1CCCN1)N1CCN2CCCCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride?
The InChIKey is NBSOWSZGFWSSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.2ClH/c17-13(12-5-3-6-14-12)16-9-8-15-7-2-1-4-11(15)10-16;;/h11-12,14H,1-10H2;2*1H.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride?
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride has a molecular weight of 310.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119868355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).