(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone

C14H21F2N5O — CID 165432207

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(CCn2nccn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N5O/c15-14(16)2-7-20(8-3-14)13(22)12-1-6-19(11-12)9-10-21-17-4-5-18-21/h4-5,12H,1-3,6-11H2
InChIKeyIYTVUINKKSLRDH-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.86
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone (PubChem CID 165432207) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone
PubChem CID165432207
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone
SMILESO=C(C1CCN(CCn2nccn2)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N5O/c15-14(16)2-7-20(8-3-14)13(22)12-1-6-19(11-12)9-10-21-17-4-5-18-21/h4-5,12H,1-3,6-11H2
InChIKeyIYTVUINKKSLRDH-UHFFFAOYSA-N
XLogP0.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-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 (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone (CID 165432207) is (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone is O=C(C1CCN(CCn2nccn2)C1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone?
The InChIKey is IYTVUINKKSLRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O/c15-14(16)2-7-20(8-3-14)13(22)12-1-6-19(11-12)9-10-21-17-4-5-18-21/h4-5,12H,1-3,6-11H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone has a molecular weight of 313.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165432207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).