4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine

C15H23N5 — CID 53192565

IUPAC4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
SMILESCC(C)n1cnnc1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H23N5/c1-12(2)20-11-17-18-15(20)13-5-8-19(9-6-13)10-14-4-3-7-16-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3
InChIKeyAOCOMIOSYDFATD-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.57
Rot. Bonds4

About 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine

4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine (PubChem CID 53192565) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
PubChem CID53192565
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine
SMILESCC(C)n1cnnc1C1CCN(Cc2ccc[nH]2)CC1
InChIInChI=1S/C15H23N5/c1-12(2)20-11-17-18-15(20)13-5-8-19(9-6-13)10-14-4-3-7-16-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3
InChIKeyAOCOMIOSYDFATD-UHFFFAOYSA-N
XLogP2.57
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine (CID 53192565) is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The canonical SMILES for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine is CC(C)n1cnnc1C1CCN(Cc2ccc[nH]2)CC1.
What is the InChIKey of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
The InChIKey is AOCOMIOSYDFATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(2)20-11-17-18-15(20)13-5-8-19(9-6-13)10-14-4-3-7-16-14/h3-4,7,11-13,16H,5-6,8-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine?
4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine has a molecular weight of 273.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)-1-(1H-pyrrol-2-ylmethyl)piperidine is sourced from PubChem (CID 53192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).