3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile

C18H22F2N4O — CID 171992777

IUPAC3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(CC(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H22F2N4O/c19-18(20)4-9-24(10-5-18)17(25)11-14-2-7-23(8-3-14)16-13-22-6-1-15(16)12-21/h1,6,13-14H,2-5,7-11H2
InChIKeyBTCOVEWXFPFGGD-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.82
Rot. Bonds3

About 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile

3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 171992777) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID171992777
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC(CC(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C18H22F2N4O/c19-18(20)4-9-24(10-5-18)17(25)11-14-2-7-23(8-3-14)16-13-22-6-1-15(16)12-21/h1,6,13-14H,2-5,7-11H2
InChIKeyBTCOVEWXFPFGGD-UHFFFAOYSA-N
XLogP2.82
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]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

Related Compounds

3-[4-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 155975805
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 171992936
2-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133351756
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxamide
CID 103847087
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
2-fluoro-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]benzonitrile
CID 56815421
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
methyl 1-(4-cyano-3-pyridinyl)pyrrolidine-3-carboxylate
CID 114287746

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 171992777) is 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccncc1N1CCC(CC(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is BTCOVEWXFPFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c19-18(20)4-9-24(10-5-18)17(25)11-14-2-7-23(8-3-14)16-13-22-6-1-15(16)12-21/h1,6,13-14H,2-5,7-11H2.
What are the key properties of 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile?
3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 348.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 171992777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).