2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one

C18H30N4O2 — CID 75380674

IUPAC2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(c2n[nH]c(C)n2)CC1
InChIInChI=1S/C18H30N4O2/c1-3-16(24-15-7-5-4-6-8-15)18(23)22-11-9-14(10-12-22)17-19-13(2)20-21-17/h14-16H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyIRBUXZMQUUUYCV-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.95
Rot. Bonds5

About 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one

2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 75380674) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
PubChem CID75380674
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(c2n[nH]c(C)n2)CC1
InChIInChI=1S/C18H30N4O2/c1-3-16(24-15-7-5-4-6-8-15)18(23)22-11-9-14(10-12-22)17-19-13(2)20-21-17/h14-16H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyIRBUXZMQUUUYCV-UHFFFAOYSA-N
XLogP2.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one (CID 75380674) is 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one is CCC(OC1CCCCC1)C(=O)N1CCC(c2n[nH]c(C)n2)CC1.
What is the InChIKey of 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is IRBUXZMQUUUYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-16(24-15-7-5-4-6-8-15)18(23)22-11-9-14(10-12-22)17-19-13(2)20-21-17/h14-16H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one?
2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 334.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 75380674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).