[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C21H21ClF3N3O — CID 26910874

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H21ClF3N3O/c1-13-10-15-4-2-3-5-18(15)28(13)20(29)14-6-8-27(9-7-14)19-17(22)11-16(12-26-19)21(23,24)25/h2-5,11-14H,6-10H2,1H3/t13-/m1/s1
InChIKeyBNPTUKMDXYZAAZ-CYBMUJFWSA-N
MW423.87 g/mol
LogP4.95
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 26910874) has the molecular formula C21H21ClF3N3O and a molecular weight of 423.87 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID26910874
Molecular FormulaC21H21ClF3N3O
Molecular Weight423.87 g/mol
Exact Mass423.13
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C21H21ClF3N3O/c1-13-10-15-4-2-3-5-18(15)28(13)20(29)14-6-8-27(9-7-14)19-17(22)11-16(12-26-19)21(23,24)25/h2-5,11-14H,6-10H2,1H3/t13-/m1/s1
InChIKeyBNPTUKMDXYZAAZ-CYBMUJFWSA-N
XLogP4.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44756867
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[4-(piperidine-1-carbonyl)piperidin-1-yl]methanone
CID 112767126
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(1R,2R)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 9272845
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9041027
[1-[(2,6-dichlorophenyl)methylsulfonyl]piperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 30389903
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] benzoate
CID 1483732
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-4-carboxamide
CID 55794869
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 55408767
4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27826347
2-chloro-3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]piperidin-1-yl]naphthalene-1,4-dione
CID 1477813
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55550553

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 26910874) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@@H]1Cc2ccccc2N1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is BNPTUKMDXYZAAZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21ClF3N3O/c1-13-10-15-4-2-3-5-18(15)28(13)20(29)14-6-8-27(9-7-14)19-17(22)11-16(12-26-19)21(23,24)25/h2-5,11-14H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 423.87 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 26910874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).