[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

C16H22N6O2 — CID 127859867

IUPAC[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)nn2)COC1
InChIInChI=1S/C16H22N6O2/c1-16(9-24-10-16)8-22-7-14(19-20-22)15(23)21-4-2-12(3-5-21)13-6-17-11-18-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyBGJIKHQSFYGMAD-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.06
Rot. Bonds4

About [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone

[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (PubChem CID 127859867) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
PubChem CID127859867
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
SMILESCC1(Cn2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)nn2)COC1
InChIInChI=1S/C16H22N6O2/c1-16(9-24-10-16)8-22-7-14(19-20-22)15(23)21-4-2-12(3-5-21)13-6-17-11-18-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,18)
InChIKeyBGJIKHQSFYGMAD-UHFFFAOYSA-N
XLogP1.06
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The IUPAC name of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone (CID 127859867) is [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The canonical SMILES for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is CC1(Cn2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)nn2)COC1.
What is the InChIKey of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
The InChIKey is BGJIKHQSFYGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-16(9-24-10-16)8-22-7-14(19-20-22)15(23)21-4-2-12(3-5-21)13-6-17-11-18-13/h6-7,11-12H,2-5,8-10H2,1H3,(H,17,18).
What are the key properties of [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone?
[4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-5-yl)piperidin-1-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 127859867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).