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

C19H29N7 — CID 72917024

IUPAC4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C19H29N7/c1-2-17(1)26-18(13-24-12-9-21-14-24)22-23-19(26)15-5-10-25(11-6-15)16-3-7-20-8-4-16/h9,12,14-17,20H,1-8,10-11,13H2
InChIKeyXLAGNHPURGDHED-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.79
Rot. Bonds5

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

4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (PubChem CID 72917024) has the molecular formula C19H29N7 and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
PubChem CID72917024
Molecular FormulaC19H29N7
Molecular Weight355.49 g/mol
Exact Mass355.25
IUPAC Name4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine
SMILESc1cn(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)cn1
InChIInChI=1S/C19H29N7/c1-2-17(1)26-18(13-24-12-9-21-14-24)22-23-19(26)15-5-10-25(11-6-15)16-3-7-20-8-4-16/h9,12,14-17,20H,1-8,10-11,13H2
InChIKeyXLAGNHPURGDHED-UHFFFAOYSA-N
XLogP1.79
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The IUPAC name of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine (CID 72917024) is 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The canonical SMILES for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is c1cn(Cc2nnc(C3CCN(C4CCNCC4)CC3)n2C2CC2)cn1.
What is the InChIKey of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
The InChIKey is XLAGNHPURGDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7/c1-2-17(1)26-18(13-24-12-9-21-14-24)22-23-19(26)15-5-10-25(11-6-15)16-3-7-20-8-4-16/h9,12,14-17,20H,1-8,10-11,13H2.
What are the key properties of 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine?
4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine has a molecular weight of 355.49 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]-1-piperidin-4-ylpiperidine is sourced from PubChem (CID 72917024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).