3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C28H34N4O3 — CID 134329231

IUPAC3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CCOC5=O)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C28H34N4O3/c1-17(2)26-23-15-21(5-6-24(23)30-27(26)22-13-18(3)29-19(4)14-22)20-7-9-31(10-8-20)25(33)16-32-11-12-35-28(32)34/h5-6,13-15,17,20,30H,7-12,16H2,1-4H3
InChIKeyWJCSBFWETFBVDN-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.13
Rot. Bonds5

About 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 134329231) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID134329231
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CCOC5=O)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C28H34N4O3/c1-17(2)26-23-15-21(5-6-24(23)30-27(26)22-13-18(3)29-19(4)14-22)20-7-9-31(10-8-20)25(33)16-32-11-12-35-28(32)34/h5-6,13-15,17,20,30H,7-12,16H2,1-4H3
InChIKeyWJCSBFWETFBVDN-UHFFFAOYSA-N
XLogP5.13
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 134329231) is 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CN5CCOC5=O)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is WJCSBFWETFBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-17(2)26-23-15-21(5-6-24(23)30-27(26)22-13-18(3)29-19(4)14-22)20-7-9-31(10-8-20)25(33)16-32-11-12-35-28(32)34/h5-6,13-15,17,20,30H,7-12,16H2,1-4H3.
What are the key properties of 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 474.61 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134329231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).