(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C13H21N5O2 — CID 60962537

IUPAC(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H21N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)11-5-10(19)6-14-11/h8-11,14,19H,2-7H2,1H3
InChIKeyWLMLDBBNOOOMNO-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.76
Rot. Bonds2

About (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 60962537) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID60962537
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCn1cnnc1C1CCCN(C(=O)C2CC(O)CN2)C1
InChIInChI=1S/C13H21N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)11-5-10(19)6-14-11/h8-11,14,19H,2-7H2,1H3
InChIKeyWLMLDBBNOOOMNO-UHFFFAOYSA-N
XLogP-0.76
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-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 (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 60962537) is (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cn1cnnc1C1CCCN(C(=O)C2CC(O)CN2)C1.
What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is WLMLDBBNOOOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-17-8-15-16-12(17)9-3-2-4-18(7-9)13(20)11-5-10(19)6-14-11/h8-11,14,19H,2-7H2,1H3.
What are the key properties of (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 279.34 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypyrrolidin-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 60962537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).