cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C18H23N5O — CID 53192478

IUPACcyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H23N5O/c24-18(15-3-1-2-4-15)23-11-7-14(8-12-23)17-20-16(21-22-17)13-5-9-19-10-6-13/h5-6,9-10,14-15H,1-4,7-8,11-12H2,(H,20,21,22)
InChIKeyGTPSFCWKMUWSNM-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.76
Rot. Bonds3

About cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192478) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192478
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Namecyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H23N5O/c24-18(15-3-1-2-4-15)23-11-7-14(8-12-23)17-20-16(21-22-17)13-5-9-19-10-6-13/h5-6,9-10,14-15H,1-4,7-8,11-12H2,(H,20,21,22)
InChIKeyGTPSFCWKMUWSNM-UHFFFAOYSA-N
XLogP2.76
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone 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 cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192478) is cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(c2nc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is GTPSFCWKMUWSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(15-3-1-2-4-15)23-11-7-14(8-12-23)17-20-16(21-22-17)13-5-9-19-10-6-13/h5-6,9-10,14-15H,1-4,7-8,11-12H2,(H,20,21,22).
What are the key properties of cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).