(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

C29H35F2N3O3 — CID 16739480

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCOc1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(OC4CCN(C(C)C)CC4)ccc32)c1
InChIInChI=1S/C29H35F2N3O3/c1-20(2)32-13-9-23(10-14-32)37-25-7-8-26-21(17-25)18-27(28(35)33-15-11-29(30,31)12-16-33)34(26)22-5-4-6-24(19-22)36-3/h4-8,17-20,23H,9-16H2,1-3H3
InChIKeyLQHDSKYOIPCTNZ-UHFFFAOYSA-N
MW511.61 g/mol
LogP5.76
Rot. Bonds6

About (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (PubChem CID 16739480) has the molecular formula C29H35F2N3O3 and a molecular weight of 511.61 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
PubChem CID16739480
Molecular FormulaC29H35F2N3O3
Molecular Weight511.61 g/mol
Exact Mass511.26
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone
SMILESCOc1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(OC4CCN(C(C)C)CC4)ccc32)c1
InChIInChI=1S/C29H35F2N3O3/c1-20(2)32-13-9-23(10-14-32)37-25-7-8-26-21(17-25)18-27(28(35)33-15-11-29(30,31)12-16-33)34(26)22-5-4-6-24(19-22)36-3/h4-8,17-20,23H,9-16H2,1-3H3
InChIKeyLQHDSKYOIPCTNZ-UHFFFAOYSA-N
XLogP5.76
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

methyl 4-[1-propan-2-yl-5-(1-propan-2-ylpiperidin-4-yl)oxyindole-2-carbonyl]piperazine-1-carboxylate
CID 24959291
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-1-yl]-pyrrolidin-1-ylmethanone
CID 44578678
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
(2R)-2-[2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-1-yl]propanenitrile
CID 67073488
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
(4-cyclopentylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69067801
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(4-methoxypiperidin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]methanone
CID 11654491
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone (CID 16739480) is (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is COc1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(OC4CCN(C(C)C)CC4)ccc32)c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
The InChIKey is LQHDSKYOIPCTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O3/c1-20(2)32-13-9-23(10-14-32)37-25-7-8-26-21(17-25)18-27(28(35)33-15-11-29(30,31)12-16-33)34(26)22-5-4-6-24(19-22)36-3/h4-8,17-20,23H,9-16H2,1-3H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone has a molecular weight of 511.61 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(1-propan-2-ylpiperidin-4-yl)oxyindol-2-yl]methanone is sourced from PubChem (CID 16739480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).