[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

C17H19ClF2N2O2 — CID 69282953

IUPAC[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(OCCCCl)ccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H19ClF2N2O2/c18-6-1-9-24-13-2-3-14-12(10-13)11-15(21-14)16(23)22-7-4-17(19,20)5-8-22/h2-3,10-11,21H,1,4-9H2
InChIKeyCURDWYAHRNBKDR-UHFFFAOYSA-N
MW356.80 g/mol
LogP4.05
Rot. Bonds5

About [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone

[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 69282953) has the molecular formula C17H19ClF2N2O2 and a molecular weight of 356.80 g/mol. Its IUPAC name is [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID69282953
Molecular FormulaC17H19ClF2N2O2
Molecular Weight356.80 g/mol
Exact Mass356.11
IUPAC Name[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(OCCCCl)ccc2[nH]1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H19ClF2N2O2/c18-6-1-9-24-13-2-3-14-12(10-13)11-15(21-14)16(23)22-7-4-17(19,20)5-8-22/h2-3,10-11,21H,1,4-9H2
InChIKeyCURDWYAHRNBKDR-UHFFFAOYSA-N
XLogP4.05
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 25221839
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
[4-(hydroxymethyl)piperidin-1-yl]-[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]methanone
CID 69280304
(5-propan-2-yloxy-1H-indol-2-yl)-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59740561
(5-chloro-1H-indol-2-yl)-[(3S,4S)-3-(4-fluorophenoxy)-4-hydroxy-4-(2-methylpropyl)piperidin-1-yl]methanone
CID 110164745
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013228

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 69282953) is [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1cc2cc(OCCCCl)ccc2[nH]1)N1CCC(F)(F)CC1.
What is the InChIKey of [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is CURDWYAHRNBKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N2O2/c18-6-1-9-24-13-2-3-14-12(10-13)11-15(21-14)16(23)22-7-4-17(19,20)5-8-22/h2-3,10-11,21H,1,4-9H2.
What are the key properties of [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 356.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloropropoxy)-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 69282953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).