[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C27H36F2N4O3 — CID 68682524

IUPAC[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc21
InChIInChI=1S/C27H36F2N4O3/c1-19(2)33-23-4-3-20(25(34)31-9-5-22(6-10-31)30-13-15-36-16-14-30)17-21(23)18-24(33)26(35)32-11-7-27(28,29)8-12-32/h3-4,17-19,22H,5-16H2,1-2H3
InChIKeyHQENGHBYUQKOJV-UHFFFAOYSA-N
MW502.61 g/mol
LogP4.03
Rot. Bonds4

About [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 68682524) has the molecular formula C27H36F2N4O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID68682524
Molecular FormulaC27H36F2N4O3
Molecular Weight502.61 g/mol
Exact Mass502.28
IUPAC Name[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc21
InChIInChI=1S/C27H36F2N4O3/c1-19(2)33-23-4-3-20(25(34)31-9-5-22(6-10-31)30-13-15-36-16-14-30)17-21(23)18-24(33)26(35)32-11-7-27(28,29)8-12-32/h3-4,17-19,22H,5-16H2,1-2H3
InChIKeyHQENGHBYUQKOJV-UHFFFAOYSA-N
XLogP4.03
TPSA58.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 68682524) is [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is CC(C)n1c(C(=O)N2CCC(F)(F)CC2)cc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc21.
What is the InChIKey of [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is HQENGHBYUQKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N4O3/c1-19(2)33-23-4-3-20(25(34)31-9-5-22(6-10-31)30-13-15-36-16-14-30)17-21(23)18-24(33)26(35)32-11-7-27(28,29)8-12-32/h3-4,17-19,22H,5-16H2,1-2H3.
What are the key properties of [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 502.61 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidine-1-carbonyl)-1-propan-2-ylindol-5-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 68682524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).