3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile

C17H20F2N4O — CID 155975805

IUPAC3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H20F2N4O/c18-17(19)4-9-23(10-5-17)16(24)13-2-7-22(8-3-13)15-12-21-6-1-14(15)11-20/h1,6,12-13H,2-5,7-10H2
InChIKeyHLFAGHKQIRZCNB-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.43
Rot. Bonds2

About 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile

3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 155975805) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID155975805
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H20F2N4O/c18-17(19)4-9-23(10-5-17)16(24)13-2-7-22(8-3-13)15-12-21-6-1-14(15)11-20/h1,6,12-13H,2-5,7-10H2
InChIKeyHLFAGHKQIRZCNB-UHFFFAOYSA-N
XLogP2.43
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile 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 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile (CID 155975805) is 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccncc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is HLFAGHKQIRZCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c18-17(19)4-9-23(10-5-17)16(24)13-2-7-22(8-3-13)15-12-21-6-1-14(15)11-20/h1,6,12-13H,2-5,7-10H2.
What are the key properties of 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile?
3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 334.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 155975805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).