N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

C19H28N4O2 — CID 177222375

IUPACN-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc3n2CCNC32CCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(24)22-10-5-15(6-11-22)13-20-18(25)16-3-4-17-19(7-2-8-19)21-9-12-23(16)17/h3-4,15,21H,2,5-13H2,1H3,(H,20,25)
InChIKeyIVENWXUPXOZPKT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.46
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (PubChem CID 177222375) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
PubChem CID177222375
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2ccc3n2CCNC32CCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-14(24)22-10-5-15(6-11-22)13-20-18(25)16-3-4-17-19(7-2-8-19)21-9-12-23(16)17/h3-4,15,21H,2,5-13H2,1H3,(H,20,25)
InChIKeyIVENWXUPXOZPKT-UHFFFAOYSA-N
XLogP1.46
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide (CID 177222375) is N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is CC(=O)N1CCC(CNC(=O)c2ccc3n2CCNC32CCC2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
The InChIKey is IVENWXUPXOZPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(24)22-10-5-15(6-11-22)13-20-18(25)16-3-4-17-19(7-2-8-19)21-9-12-23(16)17/h3-4,15,21H,2,5-13H2,1H3,(H,20,25).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide is sourced from PubChem (CID 177222375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).