[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

C15H23N3O2 — CID 74243551

IUPAC[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCC1
InChIInChI=1S/C15H23N3O2/c1-20-11-15(5-2-6-15)14(19)18-9-3-12(4-10-18)13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyRGQDZAFKZZFRII-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds4

About [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone

[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (PubChem CID 74243551) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
PubChem CID74243551
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
SMILESCOCC1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCC1
InChIInChI=1S/C15H23N3O2/c1-20-11-15(5-2-6-15)14(19)18-9-3-12(4-10-18)13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17)
InChIKeyRGQDZAFKZZFRII-UHFFFAOYSA-N
XLogP1.93
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone (CID 74243551) is [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is COCC1(C(=O)N2CCC(c3ncc[nH]3)CC2)CCC1.
What is the InChIKey of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
The InChIKey is RGQDZAFKZZFRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-11-15(5-2-6-15)14(19)18-9-3-12(4-10-18)13-16-7-8-17-13/h7-8,12H,2-6,9-11H2,1H3,(H,16,17).
What are the key properties of [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone?
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone is sourced from PubChem (CID 74243551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).