methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate

C16H15ClF2N2O3 — CID 68680510

IUPACmethyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1
InChIInChI=1S/C16H15ClF2N2O3/c1-24-15(23)10-6-9-8-12(20-13(9)11(17)7-10)14(22)21-4-2-16(18,19)3-5-21/h6-8,20H,2-5H2,1H3
InChIKeyHAFSXONYRAPJID-UHFFFAOYSA-N
MW356.76 g/mol
LogP3.48
Rot. Bonds2

About methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate

methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate (PubChem CID 68680510) has the molecular formula C16H15ClF2N2O3 and a molecular weight of 356.76 g/mol. Its IUPAC name is methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate
PubChem CID68680510
Molecular FormulaC16H15ClF2N2O3
Molecular Weight356.76 g/mol
Exact Mass356.07
IUPAC Namemethyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate
SMILESCOC(=O)c1cc(Cl)c2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1
InChIInChI=1S/C16H15ClF2N2O3/c1-24-15(23)10-6-9-8-12(20-13(9)11(17)7-10)14(22)21-4-2-16(18,19)3-5-21/h6-8,20H,2-5H2,1H3
InChIKeyHAFSXONYRAPJID-UHFFFAOYSA-N
XLogP3.48
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
dimethyl 5-(4,4-difluoropiperidin-1-yl)benzene-1,3-dicarboxylate
CID 57496007
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 69282953
2-azaspiro[3.4]octan-2-yl-(5-chloro-6,7-difluoro-1H-indol-2-yl)methanone
CID 157202078
[6-chloro-5-[3-(1-propan-2-ylpiperidin-4-yl)propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 16727158
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
7-chloro-2-methyl-1H-indole-5-carboxylic acid
CID 70229243
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate
CID 90487890
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
[4-(2-chlorophenyl)-4-methoxypiperidin-1-yl]-(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methanone
CID 141104902

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate?
The IUPAC name of methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate (CID 68680510) is methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate?
The canonical SMILES for methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate is COC(=O)c1cc(Cl)c2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1.
What is the InChIKey of methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate?
The InChIKey is HAFSXONYRAPJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3/c1-24-15(23)10-6-9-8-12(20-13(9)11(17)7-10)14(22)21-4-2-16(18,19)3-5-21/h6-8,20H,2-5H2,1H3.
What are the key properties of methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate?
methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate has a molecular weight of 356.76 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-(4,4-difluoropiperidine-1-carbonyl)-1H-indole-5-carboxylate is sourced from PubChem (CID 68680510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).