cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone

C17H22N4O — CID 110110457

IUPACcyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone
SMILESCc1cc2cncn2c(C2CCCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C17H22N4O/c1-12-9-14-10-18-11-21(14)16(19-12)15-7-2-3-8-20(15)17(22)13-5-4-6-13/h9-11,13,15H,2-8H2,1H3
InChIKeyHFECOXMDKDOUQZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds2

About cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone

cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone (PubChem CID 110110457) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone
PubChem CID110110457
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Namecyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone
SMILESCc1cc2cncn2c(C2CCCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C17H22N4O/c1-12-9-14-10-18-11-21(14)16(19-12)15-7-2-3-8-20(15)17(22)13-5-4-6-13/h9-11,13,15H,2-8H2,1H3
InChIKeyHFECOXMDKDOUQZ-UHFFFAOYSA-N
XLogP2.89
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 132764105
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124974608
[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 124680272
[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 91800754
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
cyclobutyl-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95841655
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
3-[2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]propanoic acid
CID 110090173

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone (CID 110110457) is cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone is Cc1cc2cncn2c(C2CCCCN2C(=O)C2CCC2)n1.
What is the InChIKey of cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone?
The InChIKey is HFECOXMDKDOUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-9-14-10-18-11-21(14)16(19-12)15-7-2-3-8-20(15)17(22)13-5-4-6-13/h9-11,13,15H,2-8H2,1H3.
What are the key properties of cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone?
cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone has a molecular weight of 298.39 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110110457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).