[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

C18H29N3O2 — CID 50953123

IUPAC[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCCCC2CCn2ccnc2C)CCC1
InChIInChI=1S/C18H29N3O2/c1-15-19-10-13-20(15)12-7-16-6-3-4-11-21(16)17(22)18(14-23-2)8-5-9-18/h10,13,16H,3-9,11-12,14H2,1-2H3
InChIKeyXHPCMGCUVWQWIH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.78
Rot. Bonds6

About [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone

[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 50953123) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
PubChem CID50953123
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
SMILESCOCC1(C(=O)N2CCCCC2CCn2ccnc2C)CCC1
InChIInChI=1S/C18H29N3O2/c1-15-19-10-13-20(15)12-7-16-6-3-4-11-21(16)17(22)18(14-23-2)8-5-9-18/h10,13,16H,3-9,11-12,14H2,1-2H3
InChIKeyXHPCMGCUVWQWIH-UHFFFAOYSA-N
XLogP2.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone (CID 50953123) is [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is COCC1(C(=O)N2CCCCC2CCn2ccnc2C)CCC1.
What is the InChIKey of [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is XHPCMGCUVWQWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15-19-10-13-20(15)12-7-16-6-3-4-11-21(16)17(22)18(14-23-2)8-5-9-18/h10,13,16H,3-9,11-12,14H2,1-2H3.
What are the key properties of [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone?
[1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)cyclobutyl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 50953123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).