[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone

C19H26N4O3 — CID 72894947

IUPAC[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cccc(COC)n2)CC1
InChIInChI=1S/C19H26N4O3/c1-25-13-12-22-11-8-20-18(22)15-6-9-23(10-7-15)19(24)17-5-3-4-16(21-17)14-26-2/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3
InChIKeyWHDNCDWYEWUOMZ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.09
Rot. Bonds7

About [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone

[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone (PubChem CID 72894947) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
PubChem CID72894947
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cccc(COC)n2)CC1
InChIInChI=1S/C19H26N4O3/c1-25-13-12-22-11-8-20-18(22)15-6-9-23(10-7-15)19(24)17-5-3-4-16(21-17)14-26-2/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3
InChIKeyWHDNCDWYEWUOMZ-UHFFFAOYSA-N
XLogP2.09
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone (CID 72894947) is [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone is COCCn1ccnc1C1CCN(C(=O)c2cccc(COC)n2)CC1.
What is the InChIKey of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
The InChIKey is WHDNCDWYEWUOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-25-13-12-22-11-8-20-18(22)15-6-9-23(10-7-15)19(24)17-5-3-4-16(21-17)14-26-2/h3-5,8,11,15H,6-7,9-10,12-14H2,1-2H3.
What are the key properties of [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone?
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone has a molecular weight of 358.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[6-(methoxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 72894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).