1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone

C16H26N4O2 — CID 72847432

IUPAC1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
SMILESCCn1ccnc1C1CCN(C(=O)CC2COCCN2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-19-9-5-18-16(19)13-3-7-20(8-4-13)15(21)11-14-12-22-10-6-17-14/h5,9,13-14,17H,2-4,6-8,10-12H2,1H3
InChIKeyOHRNARVOMXJPQP-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.99
Rot. Bonds4

About 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone

1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone (PubChem CID 72847432) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
PubChem CID72847432
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone
SMILESCCn1ccnc1C1CCN(C(=O)CC2COCCN2)CC1
InChIInChI=1S/C16H26N4O2/c1-2-19-9-5-18-16(19)13-3-7-20(8-4-13)15(21)11-14-12-22-10-6-17-14/h5,9,13-14,17H,2-4,6-8,10-12H2,1H3
InChIKeyOHRNARVOMXJPQP-UHFFFAOYSA-N
XLogP0.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The IUPAC name of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone (CID 72847432) is 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The canonical SMILES for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone is CCn1ccnc1C1CCN(C(=O)CC2COCCN2)CC1.
What is the InChIKey of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
The InChIKey is OHRNARVOMXJPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-19-9-5-18-16(19)13-3-7-20(8-4-13)15(21)11-14-12-22-10-6-17-14/h5,9,13-14,17H,2-4,6-8,10-12H2,1H3.
What are the key properties of 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone?
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone has a molecular weight of 306.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-3-ylethanone is sourced from PubChem (CID 72847432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).