1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

C20H30N6 — CID 72885805

IUPAC1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C20H30N6/c1-2-4-17(5-3-1)25-11-8-16(9-12-25)20-23-22-19(26(20)18-6-7-18)14-24-13-10-21-15-24/h10,13,15-18H,1-9,11-12,14H2
InChIKeyCORVNYPUDNPPSR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.37
Rot. Bonds5

About 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine

1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 72885805) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID72885805
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C20H30N6/c1-2-4-17(5-3-1)25-11-8-16(9-12-25)20-23-22-19(26(20)18-6-7-18)14-24-13-10-21-15-24/h10,13,15-18H,1-9,11-12,14H2
InChIKeyCORVNYPUDNPPSR-UHFFFAOYSA-N
XLogP3.37
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine (CID 72885805) is 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is c1cn(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C2CC2)cn1.
What is the InChIKey of 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is CORVNYPUDNPPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-2-4-17(5-3-1)25-11-8-16(9-12-25)20-23-22-19(26(20)18-6-7-18)14-24-13-10-21-15-24/h10,13,15-18H,1-9,11-12,14H2.
What are the key properties of 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine?
1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 354.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72885805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).