3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

C14H27Cl2N3O2 — CID 119881544

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN3CCCC3C2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-19-14(4-6-15-7-5-14)13(18)17-10-9-16-8-2-3-12(16)11-17;;/h12,15H,2-11H2,1H3;2*1H
InChIKeyMJYCKBGFDILJDR-UHFFFAOYSA-N
MW340.30 g/mol
LogP0.91
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (PubChem CID 119881544) has the molecular formula C14H27Cl2N3O2 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
PubChem CID119881544
Molecular FormulaC14H27Cl2N3O2
Molecular Weight340.30 g/mol
Exact Mass339.15
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
SMILESCOC1(C(=O)N2CCN3CCCC3C2)CCNCC1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-19-14(4-6-15-7-5-14)13(18)17-10-9-16-8-2-3-12(16)11-17;;/h12,15H,2-11H2,1H3;2*1H
InChIKeyMJYCKBGFDILJDR-UHFFFAOYSA-N
XLogP0.91
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119858272
azepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 84702052
(4-methoxypiperidin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 119675095
[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119880307
(4,4-dimethylazepan-1-yl)-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119803723
N-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 119761710
1,4-diazepan-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 113265250
(4-methoxypiperidin-4-yl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119894734
(4-fluorophenyl)-[1-(4-methoxypiperidine-4-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119798421
(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 119774206
[3-(diethylaminomethyl)pyrrolidin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119894888
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)cyclobutane-1-carbothioamide
CID 80591243

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride (CID 119881544) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is COC1(C(=O)N2CCN3CCCC3C2)CCNCC1.Cl.Cl.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
The InChIKey is MJYCKBGFDILJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.2ClH/c1-19-14(4-6-15-7-5-14)13(18)17-10-9-16-8-2-3-12(16)11-17;;/h12,15H,2-11H2,1H3;2*1H.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-methoxypiperidin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119881544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).