[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone

C18H17ClN4O — CID 156811347

IUPAC[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nnn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H17ClN4O/c19-14-5-4-6-15(12-14)23-17-8-7-13(11-16(17)20-21-23)18(24)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2
InChIKeyALAMXQRELBOUBE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.70
Rot. Bonds2

About [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone

[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811347) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
PubChem CID156811347
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2c(c1)nnn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C18H17ClN4O/c19-14-5-4-6-15(12-14)23-17-8-7-13(11-16(17)20-21-23)18(24)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2
InChIKeyALAMXQRELBOUBE-UHFFFAOYSA-N
XLogP3.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone (CID 156811347) is [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone is O=C(c1ccc2c(c1)nnn2-c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ALAMXQRELBOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-5-4-6-15(12-14)23-17-8-7-13(11-16(17)20-21-23)18(24)22-9-2-1-3-10-22/h4-8,11-12H,1-3,9-10H2.
What are the key properties of [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone?
[1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 340.81 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)benzotriazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).