(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone

C18H20F2N4O — CID 122563535

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
SMILESCN(C)c1cncc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1
InChIInChI=1S/C18H20F2N4O/c1-23(2)16-12-21-11-15(22-16)13-3-5-14(6-4-13)17(25)24-9-7-18(19,20)8-10-24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJDPFKTOSKNQNAR-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.08
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone (PubChem CID 122563535) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
PubChem CID122563535
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone
SMILESCN(C)c1cncc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1
InChIInChI=1S/C18H20F2N4O/c1-23(2)16-12-21-11-15(22-16)13-3-5-14(6-4-13)17(25)24-9-7-18(19,20)8-10-24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyJDPFKTOSKNQNAR-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone 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-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(2S)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 125444576
4-[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylic acid
CID 129053897
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
[4-(dimethylamino)-4-methylpiperidin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 126830359
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 125445185
6-[4-[1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyrazin-2-amine
CID 74243404
(4,4-difluoropiperidin-1-yl)-[6-(3-ethylphenyl)-3-pyridinyl]methanone
CID 123839744
(4,4-difluoropiperidin-1-yl)-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]methanone
CID 144770880
ethyl 5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 163364011
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
(4,4-difluoropiperidin-1-yl)-[3-(1-methylpyrazolo[4,5-b]pyridin-5-yl)quinoxalin-6-yl]methanone
CID 172583079

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone (CID 122563535) is (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone is CN(C)c1cncc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone?
The InChIKey is JDPFKTOSKNQNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-23(2)16-12-21-11-15(22-16)13-3-5-14(6-4-13)17(25)24-9-7-18(19,20)8-10-24/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone has a molecular weight of 346.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[6-(dimethylamino)pyrazin-2-yl]phenyl]methanone is sourced from PubChem (CID 122563535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).