1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

C17H28N4O — CID 146626344

IUPAC1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCn3cncc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)10-16(22)19-6-4-14(5-7-19)20-8-9-21-13-18-11-15(21)12-20/h11,13-14H,4-10,12H2,1-3H3
InChIKeyHDHMHADGQVUJBU-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 146626344) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID146626344
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCn3cncc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)10-16(22)19-6-4-14(5-7-19)20-8-9-21-13-18-11-15(21)12-20/h11,13-14H,4-10,12H2,1-3H3
InChIKeyHDHMHADGQVUJBU-UHFFFAOYSA-N
XLogP2.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diisopropyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide
CID 56889516
N-[1-(5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-ylcarbonyl)-2-methylpropyl]acetamide
CID 56905957
7-(2-Pyrrolidin-1-ylpropanoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 56915004
2-[(3-Cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 72889268
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286878
(9-Methyl-2,9-diazaspiro[5.5]undecan-2-yl)-(3-methylimidazol-4-yl)methanone
CID 95042801
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
CID 97384425
(3-Methylimidazol-4-yl)-(9-propan-2-yl-2,9-diazaspiro[5.5]undecan-2-yl)methanone
CID 97393778
[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone
CID 97408444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 146626344) is 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(N2CCn3cncc3C2)CC1.
What is the InChIKey of 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is HDHMHADGQVUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)10-16(22)19-6-4-14(5-7-19)20-8-9-21-13-18-11-15(21)12-20/h11,13-14H,4-10,12H2,1-3H3.
What are the key properties of 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 304.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 146626344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).