[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

C17H28N4O2 — CID 120941407

IUPAC[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)C2(CN)CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-2-15-19-7-9-21(15)14-4-3-8-20(12-14)16(22)17(13-18)5-10-23-11-6-17/h7,9,14H,2-6,8,10-13,18H2,1H3
InChIKeyJAJWXHMOSXGTSF-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.36
Rot. Bonds4

About [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 120941407) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID120941407
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)C2(CN)CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-2-15-19-7-9-21(15)14-4-3-8-20(12-14)16(22)17(13-18)5-10-23-11-6-17/h7,9,14H,2-6,8,10-13,18H2,1H3
InChIKeyJAJWXHMOSXGTSF-UHFFFAOYSA-N
XLogP1.36
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone (CID 120941407) is [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is CCc1nccn1C1CCCN(C(=O)C2(CN)CCOCC2)C1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is JAJWXHMOSXGTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-15-19-7-9-21(15)14-4-3-8-20(12-14)16(22)17(13-18)5-10-23-11-6-17/h7,9,14H,2-6,8,10-13,18H2,1H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120941407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).