(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C22H26ClF2N3O — CID 10812148

IUPAC(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1
InChIInChI=1S/C22H26ClF2N3O/c1-15(2)17-3-5-18(27-12-17)13-26-14-22(25)7-9-28(10-8-22)21(29)16-4-6-20(24)19(23)11-16/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3
InChIKeyYKYWFKHBYWAJDZ-UHFFFAOYSA-N
MW421.92 g/mol
LogP4.73
Rot. Bonds6

About (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10812148) has the molecular formula C22H26ClF2N3O and a molecular weight of 421.92 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10812148
Molecular FormulaC22H26ClF2N3O
Molecular Weight421.92 g/mol
Exact Mass421.17
IUPAC Name(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1
InChIInChI=1S/C22H26ClF2N3O/c1-15(2)17-3-5-18(27-12-17)13-26-14-22(25)7-9-28(10-8-22)21(29)16-4-6-20(24)19(23)11-16/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3
InChIKeyYKYWFKHBYWAJDZ-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-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

Related Compounds

Fluopyram
CID 11158353
Fluopicolide
CID 11159021
Befiradol
CID 9865384
Ica-27243
CID 9903497
(S)-2-(4-Chlorophenyl)-2-Pyridin-3-Yl-1-[4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl]ethanone
CID 71720882
N-(4-chlorophenyl)-5,5-difluoro-1-[3-fluoro-5-(pyridin-4-yl)benzoyl]piperidine-3-carboxamide
CID 121317995
Ztz240
CID 3780776
N-(2-aminophenyl)-4-(3-chloro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11597868
n-(2-Aminophenyl)-4-{3-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
CID 11712071
Pyridine amide, 9
CID 44237001
N-(4-chlorophenyl)-2-[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]propanamide
CID 138490227
2-chloro-N-(pyridin-2-ylmethyl)benzamide
CID 668839

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10812148) is (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is CC(C)c1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is YKYWFKHBYWAJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N3O/c1-15(2)17-3-5-18(27-12-17)13-26-14-22(25)7-9-28(10-8-22)21(29)16-4-6-20(24)19(23)11-16/h3-6,11-12,15,26H,7-10,13-14H2,1-2H3.
What are the key properties of (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 421.92 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10812148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).