1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone

C29H38N4O2 — CID 134329483

IUPAC1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CNC5CCOC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O2/c1-18(2)28-25-15-22(5-6-26(25)32-29(28)23-13-19(3)31-20(4)14-23)21-7-10-33(11-8-21)27(34)16-30-24-9-12-35-17-24/h5-6,13-15,18,21,24,30,32H,7-12,16-17H2,1-4H3
InChIKeyMVCVSRLERCTUEX-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.05
Rot. Bonds6

About 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone

1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone (PubChem CID 134329483) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone
PubChem CID134329483
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CNC5CCOC5)CC4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C29H38N4O2/c1-18(2)28-25-15-22(5-6-26(25)32-29(28)23-13-19(3)31-20(4)14-23)21-7-10-33(11-8-21)27(34)16-30-24-9-12-35-17-24/h5-6,13-15,18,21,24,30,32H,7-12,16-17H2,1-4H3
InChIKeyMVCVSRLERCTUEX-UHFFFAOYSA-N
XLogP5.05
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone?
The IUPAC name of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone (CID 134329483) is 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone.
What is the SMILES notation for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone?
The canonical SMILES for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)CNC5CCOC5)CC4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone?
The InChIKey is MVCVSRLERCTUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-18(2)28-25-15-22(5-6-26(25)32-29(28)23-13-19(3)31-20(4)14-23)21-7-10-33(11-8-21)27(34)16-30-24-9-12-35-17-24/h5-6,13-15,18,21,24,30,32H,7-12,16-17H2,1-4H3.
What are the key properties of 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone?
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone has a molecular weight of 474.65 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(oxolan-3-ylamino)ethanone is sourced from PubChem (CID 134329483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).