2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid

C15H25N3O3 — CID 79930590

IUPAC2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCN2CCCC2C1
InChIInChI=1S/C15H25N3O3/c19-14(20)10-12-4-1-2-7-18(12)15(21)17-9-8-16-6-3-5-13(16)11-17/h12-13H,1-11H2,(H,19,20)
InChIKeyXBIYJCCWBLXPHM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.22
Rot. Bonds2

About 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid

2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 79930590) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
PubChem CID79930590
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)N1CCN2CCCC2C1
InChIInChI=1S/C15H25N3O3/c19-14(20)10-12-4-1-2-7-18(12)15(21)17-9-8-16-6-3-5-13(16)11-17/h12-13H,1-11H2,(H,19,20)
InChIKeyXBIYJCCWBLXPHM-UHFFFAOYSA-N
XLogP1.22
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid with MolForge

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Related Compounds

2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
CID 62674492
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetaldehyde
CID 116999426
2-[1-(3,5-dioxopiperazine-1-carbonyl)piperidin-2-yl]acetic acid
CID 66063776

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid (CID 79930590) is 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)N1CCN2CCCC2C1.
What is the InChIKey of 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is XBIYJCCWBLXPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)10-12-4-1-2-7-18(12)15(21)17-9-8-16-6-3-5-13(16)11-17/h12-13H,1-11H2,(H,19,20).
What are the key properties of 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 79930590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).