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

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Related Compounds

3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 171992777
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
6-[3-(4,4-difluoropiperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 165434752
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
1-(4-cyano-3-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742757
3-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]pyridine-4-carbonitrile
CID 155800062
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585
4-acetyl-2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 133442496

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).