tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate

C24H35N3O3 — CID 170625741

IUPACtert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3[C@@H]2CCC(=O)NC2)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)30-23(29)16-26-12-9-17(10-13-26)19-5-4-6-21-20(19)11-14-27(21)18-7-8-22(28)25-15-18/h4-6,17-18H,7-16H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeySCZPJGASEJUGQG-GOSISDBHSA-N
MW413.56 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate

tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate (PubChem CID 170625741) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
PubChem CID170625741
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Nametert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3[C@@H]2CCC(=O)NC2)CC1
InChIInChI=1S/C24H35N3O3/c1-24(2,3)30-23(29)16-26-12-9-17(10-13-26)19-5-4-6-21-20(19)11-14-27(21)18-7-8-22(28)25-15-18/h4-6,17-18H,7-16H2,1-3H3,(H,25,28)/t18-/m1/s1
InChIKeySCZPJGASEJUGQG-GOSISDBHSA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate (CID 170625741) is tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3[C@@H]2CCC(=O)NC2)CC1.
What is the InChIKey of tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The InChIKey is SCZPJGASEJUGQG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-24(2,3)30-23(29)16-26-12-9-17(10-13-26)19-5-4-6-21-20(19)11-14-27(21)18-7-8-22(28)25-15-18/h4-6,17-18H,7-16H2,1-3H3,(H,25,28)/t18-/m1/s1.
What are the key properties of tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate has a molecular weight of 413.56 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-[(3R)-6-oxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 170625741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).