(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone

C14H26N4O — CID 79938706

IUPAC(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC3CCCN3CC2C)CN1
InChIInChI=1S/C14H26N4O/c1-10-6-16-13(7-15-10)14(19)18-9-12-4-3-5-17(12)8-11(18)2/h10-13,15-16H,3-9H2,1-2H3
InChIKeyJXYSMUGGOIXHRC-UHFFFAOYSA-N
MW266.39 g/mol
LogP-0.37
Rot. Bonds1

About (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone (PubChem CID 79938706) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
PubChem CID79938706
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone
SMILESCC1CNC(C(=O)N2CC3CCCN3CC2C)CN1
InChIInChI=1S/C14H26N4O/c1-10-6-16-13(7-15-10)14(19)18-9-12-4-3-5-17(12)8-11(18)2/h10-13,15-16H,3-9H2,1-2H3
InChIKeyJXYSMUGGOIXHRC-UHFFFAOYSA-N
XLogP-0.37
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119888302
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyrrolidin-3-ylmethanone
CID 79937868
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(3S)-piperidin-3-yl]methanone
CID 81134574
1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 102893352
(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-piperidin-3-ylmethanone
CID 79935190
4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)pyrrolidin-2-one
CID 78992310
2-amino-2-methyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 119888242
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
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 (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone (CID 79938706) is (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone is CC1CNC(C(=O)N2CC3CCCN3CC2C)CN1.
What is the InChIKey of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone?
The InChIKey is JXYSMUGGOIXHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-6-16-13(7-15-10)14(19)18-9-12-4-3-5-17(12)8-11(18)2/h10-13,15-16H,3-9H2,1-2H3.
What are the key properties of (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone?
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone has a molecular weight of 266.39 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 79938706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).