piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone

C14H22N4O — CID 141141123

IUPACpiperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone
SMILESO=C(C1CCC(n2cnnc2)CC1)N1CCCCC1
InChIInChI=1S/C14H22N4O/c19-14(17-8-2-1-3-9-17)12-4-6-13(7-5-12)18-10-15-16-11-18/h10-13H,1-9H2
InChIKeyVFGQGQBKROMDKS-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.02
Rot. Bonds2

About piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone

piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone (PubChem CID 141141123) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone
PubChem CID141141123
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Namepiperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone
SMILESO=C(C1CCC(n2cnnc2)CC1)N1CCCCC1
InChIInChI=1S/C14H22N4O/c19-14(17-8-2-1-3-9-17)12-4-6-13(7-5-12)18-10-15-16-11-18/h10-13H,1-9H2
InChIKeyVFGQGQBKROMDKS-UHFFFAOYSA-N
XLogP2.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone?
The IUPAC name of piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone (CID 141141123) is piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone is O=C(C1CCC(n2cnnc2)CC1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone?
The InChIKey is VFGQGQBKROMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(17-8-2-1-3-9-17)12-4-6-13(7-5-12)18-10-15-16-11-18/h10-13H,1-9H2.
What are the key properties of piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone?
piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone has a molecular weight of 262.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(1,2,4-triazol-4-yl)cyclohexyl]methanone is sourced from PubChem (CID 141141123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).