N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide

C16H26N6O2 — CID 97467463

IUPACN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1
InChIInChI=1S/C16H26N6O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20/h11H,3-10,12H2,1-2H3,(H,17,23)
InChIKeyXMRDVJJUGSRVBE-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.89
Rot. Bonds4

About N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide

N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide (PubChem CID 97467463) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide
PubChem CID97467463
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC NameN-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1
InChIInChI=1S/C16H26N6O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20/h11H,3-10,12H2,1-2H3,(H,17,23)
InChIKeyXMRDVJJUGSRVBE-UHFFFAOYSA-N
XLogP-0.89
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide (CID 97467463) is N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCn2cc(CN3CCN(C)CC3)nc2C1.
What is the InChIKey of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide?
The InChIKey is XMRDVJJUGSRVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-13(23)17-9-16(24)22-8-7-21-11-14(18-15(21)12-22)10-20-5-3-19(2)4-6-20/h11H,3-10,12H2,1-2H3,(H,17,23).
What are the key properties of N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide?
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 97467463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).